(2S)-2-(3-aminopropanoylamino)hexanoic acid

C9H18N2O3 — CID 22212413

IUPAC(2S)-2-(3-aminopropanoylamino)hexanoic acid
SMILESCCCC[C@H](NC(=O)CCN)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-2-3-4-7(9(13)14)11-8(12)5-6-10/h7H,2-6,10H2,1H3,(H,11,12)(H,13,14)/t7-/m0/s1
InChIKeyZSFCQAOGLCMNCO-ZETCQYMHSA-N
MW202.25 g/mol
LogP0.09
Rot. Bonds7

About (2S)-2-(3-aminopropanoylamino)hexanoic acid

(2S)-2-(3-aminopropanoylamino)hexanoic acid (PubChem CID 22212413) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2S)-2-(3-aminopropanoylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-(3-aminopropanoylamino)hexanoic acid
PubChem CID22212413
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(2S)-2-(3-aminopropanoylamino)hexanoic acid
SMILESCCCC[C@H](NC(=O)CCN)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-2-3-4-7(9(13)14)11-8(12)5-6-10/h7H,2-6,10H2,1H3,(H,11,12)(H,13,14)/t7-/m0/s1
InChIKeyZSFCQAOGLCMNCO-ZETCQYMHSA-N
XLogP0.09
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-aminoheptanoylamino)hexanoic acid
CID 61161785
(2S)-2-(hexanoylamino)hexanoic acid
CID 22214794
(2S)-5-amino-2-(decanoylamino)pentanoic acid
CID 54420497
6-amino-2-(nonanoylamino)hexanoic acid
CID 22722100
(2S)-6-amino-2-(heptadecanoylamino)hexanoic acid
CID 171116907
6-amino-2-(octanoylamino)hexanoic acid;sulfane
CID 174384017
(2R)-2-(4-aminobutanoylamino)pentanoic acid
CID 103869889
(2S)-2-(5-aminohexanoylamino)hexanoic acid
CID 107146995
(2S)-2-(5-aminopentanoylamino)pentanoic acid
CID 103869799
6-amino-2-(hexanoylamino)hexanoic acid;dodecanamide
CID 174328411
(2S)-2-(3-propoxypropanoylamino)hexanoic acid
CID 94548934
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
CID 53323362

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-aminopropanoylamino)hexanoic acid?
The IUPAC name of (2S)-2-(3-aminopropanoylamino)hexanoic acid (CID 22212413) is (2S)-2-(3-aminopropanoylamino)hexanoic acid.
What is the SMILES notation for (2S)-2-(3-aminopropanoylamino)hexanoic acid?
The canonical SMILES for (2S)-2-(3-aminopropanoylamino)hexanoic acid is CCCC[C@H](NC(=O)CCN)C(=O)O.
What is the InChIKey of (2S)-2-(3-aminopropanoylamino)hexanoic acid?
The InChIKey is ZSFCQAOGLCMNCO-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-2-3-4-7(9(13)14)11-8(12)5-6-10/h7H,2-6,10H2,1H3,(H,11,12)(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-(3-aminopropanoylamino)hexanoic acid?
(2S)-2-(3-aminopropanoylamino)hexanoic acid has a molecular weight of 202.25 g/mol, XLogP of 0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-aminopropanoylamino)hexanoic acid is sourced from PubChem (CID 22212413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).