(2S)-2-(2-but-3-enoxypropanoylamino)propanoic acid

C10H17NO4 — CID 103791004

IUPAC(2S)-2-(2-but-3-enoxypropanoylamino)propanoic acid
SMILESC=CCCOC(C)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C10H17NO4/c1-4-5-6-15-8(3)9(12)11-7(2)10(13)14/h4,7-8H,1,5-6H2,2-3H3,(H,11,12)(H,13,14)/t7-,8?/m0/s1
InChIKeyVAOGVPGNIAQREE-JAMMHHFISA-N
MW215.25 g/mol
LogP0.56
Rot. Bonds7

About (2S)-2-(2-but-3-enoxypropanoylamino)propanoic acid

(2S)-2-(2-but-3-enoxypropanoylamino)propanoic acid (PubChem CID 103791004) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2S)-2-(2-but-3-enoxypropanoylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-but-3-enoxypropanoylamino)propanoic acid
PubChem CID103791004
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(2S)-2-(2-but-3-enoxypropanoylamino)propanoic acid
SMILESC=CCCOC(C)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C10H17NO4/c1-4-5-6-15-8(3)9(12)11-7(2)10(13)14/h4,7-8H,1,5-6H2,2-3H3,(H,11,12)(H,13,14)/t7-,8?/m0/s1
InChIKeyVAOGVPGNIAQREE-JAMMHHFISA-N
XLogP0.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2-but-3-enoxypropanoylamino)-3-methylbutanoic acid
CID 119360508
N-(1-amino-4-methylpentan-2-yl)-2-but-3-enoxypropanamide
CID 119588761
2-but-3-enoxypropanoic acid
CID 43128770
2-(2-but-3-enoxypropanoylamino)-2-cyclopropylacetic acid
CID 119213547
N-[(2S)-1-aminopropan-2-yl]-2-but-3-enoxypropanamide;hydrochloride
CID 120506512
(2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid
CID 10777126
2-but-3-enoxy-N-[2-(methylamino)propyl]propanamide
CID 120828523
1-(2-but-3-enoxypropanoylamino)cycloheptane-1-carboxylic acid
CID 120538661
(2R)-2-hept-6-enoxypropanoic acid
CID 107005963
(2S)-2-but-3-enoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]propanamide
CID 95271736
(2S)-2-(pent-4-enylamino)propanoic acid
CID 83194010
2-(2-methylbutanoylamino)propanoic acid
CID 14758658

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-but-3-enoxypropanoylamino)propanoic acid?
The IUPAC name of (2S)-2-(2-but-3-enoxypropanoylamino)propanoic acid (CID 103791004) is (2S)-2-(2-but-3-enoxypropanoylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(2-but-3-enoxypropanoylamino)propanoic acid?
The canonical SMILES for (2S)-2-(2-but-3-enoxypropanoylamino)propanoic acid is C=CCCOC(C)C(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-(2-but-3-enoxypropanoylamino)propanoic acid?
The InChIKey is VAOGVPGNIAQREE-JAMMHHFISA-N. The full InChI is InChI=1S/C10H17NO4/c1-4-5-6-15-8(3)9(12)11-7(2)10(13)14/h4,7-8H,1,5-6H2,2-3H3,(H,11,12)(H,13,14)/t7-,8?/m0/s1.
What are the key properties of (2S)-2-(2-but-3-enoxypropanoylamino)propanoic acid?
(2S)-2-(2-but-3-enoxypropanoylamino)propanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-but-3-enoxypropanoylamino)propanoic acid is sourced from PubChem (CID 103791004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).