(2S)-2-(methylamino)-3-(prop-2-enylamino)propanoic acid

C7H14N2O2 — CID 59882209

IUPAC(2S)-2-(methylamino)-3-(prop-2-enylamino)propanoic acid
SMILESC=CCNC[C@H](NC)C(=O)O
InChIInChI=1S/C7H14N2O2/c1-3-4-9-5-6(8-2)7(10)11/h3,6,8-9H,1,4-5H2,2H3,(H,10,11)/t6-/m0/s1
InChIKeySUQPDALQICTEJZ-LURJTMIESA-N
MW158.20 g/mol
LogP-0.57
Rot. Bonds6

About (2S)-2-(methylamino)-3-(prop-2-enylamino)propanoic acid

(2S)-2-(methylamino)-3-(prop-2-enylamino)propanoic acid (PubChem CID 59882209) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2S)-2-(methylamino)-3-(prop-2-enylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(methylamino)-3-(prop-2-enylamino)propanoic acid
PubChem CID59882209
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(2S)-2-(methylamino)-3-(prop-2-enylamino)propanoic acid
SMILESC=CCNC[C@H](NC)C(=O)O
InChIInChI=1S/C7H14N2O2/c1-3-4-9-5-6(8-2)7(10)11/h3,6,8-9H,1,4-5H2,2H3,(H,10,11)/t6-/m0/s1
InChIKeySUQPDALQICTEJZ-LURJTMIESA-N
XLogP-0.57
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
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

N-(2-propenyl)alanine
CID 45086547
2,3-Bis(prop-2-enylamino)butanedioic acid
CID 13186906
N-Allyl-DL-alanine
CID 13326683
2-(Prop-2-enylamino)butanoic acid
CID 16724039
2-(But-3-en-2-ylamino)propanoic acid
CID 18426357
(2R)-2-(but-3-en-2-ylamino)propanoic acid
CID 18664909
2-[[(E)-but-2-enyl]amino]propanoic acid
CID 43467300
2,3-Bis(methylamino)propanoic acid
CID 54539295
(2R)-3-amino-2-(propan-2-ylamino)propanoic acid
CID 59149228
(2S)-3-amino-2-(propan-2-ylamino)propanoic acid
CID 59149285
(2R)-2,3-bis(methylamino)propanoic acid
CID 59366774
(2S)-2,3-bis(methylamino)propanoic acid
CID 59549254

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-3-(prop-2-enylamino)propanoic acid?
The IUPAC name of (2S)-2-(methylamino)-3-(prop-2-enylamino)propanoic acid (CID 59882209) is (2S)-2-(methylamino)-3-(prop-2-enylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(methylamino)-3-(prop-2-enylamino)propanoic acid?
The canonical SMILES for (2S)-2-(methylamino)-3-(prop-2-enylamino)propanoic acid is C=CCNC[C@H](NC)C(=O)O.
What is the InChIKey of (2S)-2-(methylamino)-3-(prop-2-enylamino)propanoic acid?
The InChIKey is SUQPDALQICTEJZ-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-4-9-5-6(8-2)7(10)11/h3,6,8-9H,1,4-5H2,2H3,(H,10,11)/t6-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-3-(prop-2-enylamino)propanoic acid?
(2S)-2-(methylamino)-3-(prop-2-enylamino)propanoic acid has a molecular weight of 158.20 g/mol, XLogP of -0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-3-(prop-2-enylamino)propanoic acid is sourced from PubChem (CID 59882209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).