cyclopentyl (2R)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate

C26H29NO4 — CID 122539263

IUPACcyclopentyl (2R)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
SMILESO=C(N[C@H](CC1CC1)C(=O)OC1CCCC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H29NO4/c28-25(31-18-7-1-2-8-18)24(15-17-13-14-17)27-26(29)30-16-23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)23/h3-6,9-12,17-18,23-24H,1-2,7-8,13-16H2,(H,27,29)/t24-/m1/s1
InChIKeyUQGKSFZJQIYDKB-XMMPIXPASA-N
MW419.52 g/mol
LogP5.18
Rot. Bonds7

About cyclopentyl (2R)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate

cyclopentyl (2R)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate (PubChem CID 122539263) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is cyclopentyl (2R)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Namecyclopentyl (2R)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
PubChem CID122539263
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC Namecyclopentyl (2R)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
SMILESO=C(N[C@H](CC1CC1)C(=O)OC1CCCC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H29NO4/c28-25(31-18-7-1-2-8-18)24(15-17-13-14-17)27-26(29)30-16-23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)23/h3-6,9-12,17-18,23-24H,1-2,7-8,13-16H2,(H,27,29)/t24-/m1/s1
InChIKeyUQGKSFZJQIYDKB-XMMPIXPASA-N
XLogP5.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.52
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

acetic acid;3-cyclohexyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 131675536
9H-fluoren-9-ylmethyl N-[(2S)-3-cyclohexyl-1-[[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]carbamate
CID 10842200
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-phenylpiperidin-4-yl)propanoic acid
CID 177277546
(2S)-4-cyclopentyloxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
CID 169025300
(3S)-4-cyclopropyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
CID 171703009
(2S)-3-(4,4-difluorocyclohexyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 146013652
(2S)-3-(1-deuteriocyclohexyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 140883550
9H-fluoren-9-ylmethyl N-(1-cyclopentyl-2-hydroxyethyl)carbamate
CID 131162320
4-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(methylamino)-3-oxopropyl]piperidine-1-carboxylic acid
CID 170161592
3-(3,3-dimethylcyclobutyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 122240317
(3R)-4-cyclohexyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate
CID 7176369
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]propanoic acid
CID 155821822

Frequently Asked Questions

What is the IUPAC name of cyclopentyl (2R)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate?
The IUPAC name of cyclopentyl (2R)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate (CID 122539263) is cyclopentyl (2R)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate.
What is the SMILES notation for cyclopentyl (2R)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate?
The canonical SMILES for cyclopentyl (2R)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate is O=C(N[C@H](CC1CC1)C(=O)OC1CCCC1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of cyclopentyl (2R)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate?
The InChIKey is UQGKSFZJQIYDKB-XMMPIXPASA-N. The full InChI is InChI=1S/C26H29NO4/c28-25(31-18-7-1-2-8-18)24(15-17-13-14-17)27-26(29)30-16-23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)23/h3-6,9-12,17-18,23-24H,1-2,7-8,13-16H2,(H,27,29)/t24-/m1/s1.
What are the key properties of cyclopentyl (2R)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate?
cyclopentyl (2R)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate has a molecular weight of 419.52 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl (2R)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 122539263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).