(4S)-5-amino-4-(cyclooctylamino)-5-oxopentanoic acid

C13H24N2O3 — CID 67336025

IUPAC(4S)-5-amino-4-(cyclooctylamino)-5-oxopentanoic acid
SMILESNC(=O)[C@H](CCC(=O)O)NC1CCCCCCC1
InChIInChI=1S/C13H24N2O3/c14-13(18)11(8-9-12(16)17)15-10-6-4-2-1-3-5-7-10/h10-11,15H,1-9H2,(H2,14,18)(H,16,17)/t11-/m0/s1
InChIKeyGHAALVJQPKUGQN-NSHDSACASA-N
MW256.35 g/mol
LogP1.41
Rot. Bonds6

About (4S)-5-amino-4-(cyclooctylamino)-5-oxopentanoic acid

(4S)-5-amino-4-(cyclooctylamino)-5-oxopentanoic acid (PubChem CID 67336025) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (4S)-5-amino-4-(cyclooctylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-5-amino-4-(cyclooctylamino)-5-oxopentanoic acid
PubChem CID67336025
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(4S)-5-amino-4-(cyclooctylamino)-5-oxopentanoic acid
SMILESNC(=O)[C@H](CCC(=O)O)NC1CCCCCCC1
InChIInChI=1S/C13H24N2O3/c14-13(18)11(8-9-12(16)17)15-10-6-4-2-1-3-5-7-10/h10-11,15H,1-9H2,(H2,14,18)(H,16,17)/t11-/m0/s1
InChIKeyGHAALVJQPKUGQN-NSHDSACASA-N
XLogP1.41
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-5-amino-4-(cyclopentylamino)-5-oxopentanoic acid
CID 67333173
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CID 66221949
2-(cyclopentylamino)-3-methoxypropanamide
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4-(cyclohexylmethoxy)-2-(cyclopropylamino)butanamide
CID 63035322
4-(cyclopentylamino)-5-oxo-5-thiophen-2-ylpentanoic acid
CID 82348678
2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanamide
CID 104968607
2-(cyclopentylamino)-N',N'-dimethylbutanediamide
CID 66430853
4,4-dicyclohexylbutanoic acid
CID 19041232
5-cyclohexyl-4-methylhexanoic acid
CID 174468115
(2S)-2-(cycloheptylamino)propanamide
CID 93300220
4-(cyclooctylamino)-5-phenylpentanoic acid
CID 122046085

Frequently Asked Questions

What is the IUPAC name of (4S)-5-amino-4-(cyclooctylamino)-5-oxopentanoic acid?
The IUPAC name of (4S)-5-amino-4-(cyclooctylamino)-5-oxopentanoic acid (CID 67336025) is (4S)-5-amino-4-(cyclooctylamino)-5-oxopentanoic acid.
What is the SMILES notation for (4S)-5-amino-4-(cyclooctylamino)-5-oxopentanoic acid?
The canonical SMILES for (4S)-5-amino-4-(cyclooctylamino)-5-oxopentanoic acid is NC(=O)[C@H](CCC(=O)O)NC1CCCCCCC1.
What is the InChIKey of (4S)-5-amino-4-(cyclooctylamino)-5-oxopentanoic acid?
The InChIKey is GHAALVJQPKUGQN-NSHDSACASA-N. The full InChI is InChI=1S/C13H24N2O3/c14-13(18)11(8-9-12(16)17)15-10-6-4-2-1-3-5-7-10/h10-11,15H,1-9H2,(H2,14,18)(H,16,17)/t11-/m0/s1.
What are the key properties of (4S)-5-amino-4-(cyclooctylamino)-5-oxopentanoic acid?
(4S)-5-amino-4-(cyclooctylamino)-5-oxopentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-amino-4-(cyclooctylamino)-5-oxopentanoic acid is sourced from PubChem (CID 67336025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).