2-[1-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidin-2-yl]acetic acid

C28H32N2O5 — CID 178193079

IUPAC2-[1-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)[C@H]1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C28H32N2O5/c31-26(32)16-20-7-5-6-14-30(20)27(33)18-12-13-19(15-18)29-28(34)35-17-25-23-10-3-1-8-21(23)22-9-2-4-11-24(22)25/h1-4,8-11,18-20,25H,5-7,12-17H2,(H,29,34)(H,31,32)/t18-,19+,20?/m0/s1
InChIKeyQWODHMPMAUTLPK-ABZYKWASSA-N
MW476.57 g/mol
LogP4.55
Rot. Bonds6

About 2-[1-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidin-2-yl]acetic acid

2-[1-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidin-2-yl]acetic acid (PubChem CID 178193079) has the molecular formula C28H32N2O5 and a molecular weight of 476.57 g/mol. Its IUPAC name is 2-[1-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidin-2-yl]acetic acid
PubChem CID178193079
Molecular FormulaC28H32N2O5
Molecular Weight476.57 g/mol
Exact Mass476.23
IUPAC Name2-[1-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)[C@H]1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C28H32N2O5/c31-26(32)16-20-7-5-6-14-30(20)27(33)18-12-13-19(15-18)29-28(34)35-17-25-23-10-3-1-8-21(23)22-9-2-4-11-24(22)25/h1-4,8-11,18-20,25H,5-7,12-17H2,(H,29,34)(H,31,32)/t18-,19+,20?/m0/s1
InChIKeyQWODHMPMAUTLPK-ABZYKWASSA-N
XLogP4.55
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]pyrrolidin-2-yl]acetic acid
CID 178195426
2-[(2R)-1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]piperidin-2-yl]acetic acid
CID 178193554
2-[(3S,4S)-1-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-4-methylpyrrolidin-3-yl]acetic acid
CID 178198303
(2S)-1-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-2-methylpyrrolidine-2-carboxylic acid
CID 178192821
2-[(2R)-1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]pyrrolidin-2-yl]acetic acid
CID 178191195
2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
CID 178193078
2-[1-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]piperidin-2-yl]acetic acid
CID 165446924
(2S,4S)-1-[(1R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 165445860
(2R,4R)-1-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 178193932
(3R)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]butanoic acid
CID 178192127
cis-(1S,3R)-3-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 178193480
5-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-5-azaspiro[2.4]heptane-7-carboxylic acid
CID 178192107

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidin-2-yl]acetic acid (CID 178193079) is 2-[1-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)[C@H]1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 2-[1-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidin-2-yl]acetic acid?
The InChIKey is QWODHMPMAUTLPK-ABZYKWASSA-N. The full InChI is InChI=1S/C28H32N2O5/c31-26(32)16-20-7-5-6-14-30(20)27(33)18-12-13-19(15-18)29-28(34)35-17-25-23-10-3-1-8-21(23)22-9-2-4-11-24(22)25/h1-4,8-11,18-20,25H,5-7,12-17H2,(H,29,34)(H,31,32)/t18-,19+,20?/m0/s1.
What are the key properties of 2-[1-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidin-2-yl]acetic acid?
2-[1-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidin-2-yl]acetic acid has a molecular weight of 476.57 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 178193079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).