2-cyclopropyl-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]acetic acid

C28H32N2O5 — CID 165481898

IUPAC2-cyclopropyl-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]acetic acid
SMILESO=C(NCC1(C(=O)NC(C(=O)O)C2CC2)CCCCC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H32N2O5/c31-25(32)24(18-12-13-18)30-26(33)28(14-6-1-7-15-28)17-29-27(34)35-16-23-21-10-4-2-8-19(21)20-9-3-5-11-22(20)23/h2-5,8-11,18,23-24H,1,6-7,12-17H2,(H,29,34)(H,30,33)(H,31,32)
InChIKeyMDAPOBIPTCZOTJ-UHFFFAOYSA-N
MW476.57 g/mol
LogP4.45
Rot. Bonds8

About 2-cyclopropyl-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]acetic acid

2-cyclopropyl-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]acetic acid (PubChem CID 165481898) has the molecular formula C28H32N2O5 and a molecular weight of 476.57 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]acetic acid
PubChem CID165481898
Molecular FormulaC28H32N2O5
Molecular Weight476.57 g/mol
Exact Mass476.23
IUPAC Name2-cyclopropyl-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]acetic acid
SMILESO=C(NCC1(C(=O)NC(C(=O)O)C2CC2)CCCCC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H32N2O5/c31-25(32)24(18-12-13-18)30-26(33)28(14-6-1-7-15-28)17-29-27(34)35-16-23-21-10-4-2-8-19(21)20-9-3-5-11-22(20)23/h2-5,8-11,18,23-24H,1,6-7,12-17H2,(H,29,34)(H,30,33)(H,31,32)
InChIKeyMDAPOBIPTCZOTJ-UHFFFAOYSA-N
XLogP4.45
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]pentanoic acid
CID 165459168
(2R)-2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 7146280
9H-fluoren-9-ylmethyl N-[(1-carbonochloridoylcyclohexyl)methyl]carbamate
CID 118380482
(2S)-2-(3,3-difluorocyclopentyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 163275676
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(oxetan-3-yl)acetic acid
CID 171934882
trans-(1S,2R)-2-[[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 178193712
1-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 165463816
(2S)-2-(1-acetylpiperidin-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 154706549
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(1S,3R)-3-hydroxycyclohexyl]acetic acid
CID 155270883
(2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid
CID 177277763
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-methylcyclohexyl)propanoic acid
CID 165485041
(3S)-3-cyclohexyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 7015473

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]acetic acid (CID 165481898) is 2-cyclopropyl-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]acetic acid is O=C(NCC1(C(=O)NC(C(=O)O)C2CC2)CCCCC1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-cyclopropyl-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]acetic acid?
The InChIKey is MDAPOBIPTCZOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O5/c31-25(32)24(18-12-13-18)30-26(33)28(14-6-1-7-15-28)17-29-27(34)35-16-23-21-10-4-2-8-19(21)20-9-3-5-11-22(20)23/h2-5,8-11,18,23-24H,1,6-7,12-17H2,(H,29,34)(H,30,33)(H,31,32).
What are the key properties of 2-cyclopropyl-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]acetic acid?
2-cyclopropyl-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]acetic acid has a molecular weight of 476.57 g/mol, XLogP of 4.45, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]acetic acid is sourced from PubChem (CID 165481898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).