(2S)-2-(hept-1-enylamino)propanoic acid

C10H19NO2 — CID 142450013

IUPAC(2S)-2-(hept-1-enylamino)propanoic acid
SMILESCCCCCC=CN[C@@H](C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-3-4-5-6-7-8-11-9(2)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyQOVJLNPVOCFUCS-VIFPVBQESA-N
MW185.27 g/mol
LogP2.14
Rot. Bonds7

About (2S)-2-(hept-1-enylamino)propanoic acid

(2S)-2-(hept-1-enylamino)propanoic acid (PubChem CID 142450013) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S)-2-(hept-1-enylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(hept-1-enylamino)propanoic acid
PubChem CID142450013
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2S)-2-(hept-1-enylamino)propanoic acid
SMILESCCCCCC=CN[C@@H](C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-3-4-5-6-7-8-11-9(2)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyQOVJLNPVOCFUCS-VIFPVBQESA-N
XLogP2.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(oct-1-enylamino)propanoic acid
CID 140766840
(2S)-2-[[(5E,8Z,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]propanoic acid
CID 125183521
1-N'-non-1-enylethane-1,1-diamine
CID 141374365
1-N'-henicos-1-enylethane-1,1-diamine
CID 141374379
2-[(Z)-oct-2-enyl]propanedioic acid
CID 156873558
2-[(E)-nonadec-2-enyl]propanedioic acid
CID 156873698
2-[(E)-dec-2-enyl]propanedioic acid
CID 156873573
carbonic acid;(Z)-octadec-9-ene
CID 87599003
2-methyl-3-oxodec-4-enoic acid
CID 160584572
(8E,10E,12Z)-2-methyloctadeca-8,10,12-trienoic acid
CID 87447749
(2R,3R,4R,5S)-6-[[(E)-hexadec-1-enyl]amino]-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
CID 138523327
(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-(octadec-1-enylamino)-6-oxohexanoic acid
CID 142553475

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hept-1-enylamino)propanoic acid?
The IUPAC name of (2S)-2-(hept-1-enylamino)propanoic acid (CID 142450013) is (2S)-2-(hept-1-enylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(hept-1-enylamino)propanoic acid?
The canonical SMILES for (2S)-2-(hept-1-enylamino)propanoic acid is CCCCCC=CN[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-(hept-1-enylamino)propanoic acid?
The InChIKey is QOVJLNPVOCFUCS-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-4-5-6-7-8-11-9(2)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-2-(hept-1-enylamino)propanoic acid?
(2S)-2-(hept-1-enylamino)propanoic acid has a molecular weight of 185.27 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hept-1-enylamino)propanoic acid is sourced from PubChem (CID 142450013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).