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

C11H21NO2 — CID 140766840

IUPAC(2S)-2-(oct-1-enylamino)propanoic acid
SMILESCCCCCCC=CN[C@@H](C)C(=O)O
InChIInChI=1S/C11H21NO2/c1-3-4-5-6-7-8-9-12-10(2)11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyUOAXMMISMWRAMK-JTQLQIEISA-N
MW199.29 g/mol
LogP2.53
Rot. Bonds8

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

(2S)-2-(oct-1-enylamino)propanoic acid (PubChem CID 140766840) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (2S)-2-(oct-1-enylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(oct-1-enylamino)propanoic acid
PubChem CID140766840
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(2S)-2-(oct-1-enylamino)propanoic acid
SMILESCCCCCCC=CN[C@@H](C)C(=O)O
InChIInChI=1S/C11H21NO2/c1-3-4-5-6-7-8-9-12-10(2)11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyUOAXMMISMWRAMK-JTQLQIEISA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.53
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-(hept-1-enylamino)propanoic acid
CID 142450013
1-N'-non-1-enylethane-1,1-diamine
CID 141374365
1-N'-henicos-1-enylethane-1,1-diamine
CID 141374379
carbonic acid;(Z)-octadec-9-ene
CID 87599003
2-[(E)-nonadec-2-enyl]propanedioic acid
CID 156873698
2-[(E)-dec-2-enyl]propanedioic acid
CID 156873573
(8E,10E,12Z)-2-methyloctadeca-8,10,12-trienoic acid
CID 87447749
(2S)-2-[[(5E,8Z,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]propanoic acid
CID 125183521
acetic acid;(E)-tetradec-7-ene
CID 174697247
2-[(E)-non-1-enyl]propanedioic acid
CID 156873732
N-[(E)-dec-1-enyl]acetamide
CID 87894534
2-[(Z)-pentadec-1-enyl]propanedioic acid
CID 156873718

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(oct-1-enylamino)propanoic acid?
The IUPAC name of (2S)-2-(oct-1-enylamino)propanoic acid (CID 140766840) is (2S)-2-(oct-1-enylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(oct-1-enylamino)propanoic acid?
The canonical SMILES for (2S)-2-(oct-1-enylamino)propanoic acid is CCCCCCC=CN[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-(oct-1-enylamino)propanoic acid?
The InChIKey is UOAXMMISMWRAMK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-4-5-6-7-8-9-12-10(2)11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-(oct-1-enylamino)propanoic acid?
(2S)-2-(oct-1-enylamino)propanoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(oct-1-enylamino)propanoic acid is sourced from PubChem (CID 140766840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).