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

C6H12NO5P — CID 87479265

IUPAC(2S)-2-(1-phosphonoprop-2-enylamino)propanoic acid
SMILESC=CC(N[C@@H](C)C(=O)O)P(=O)(O)O
InChIInChI=1S/C6H12NO5P/c1-3-5(13(10,11)12)7-4(2)6(8)9/h3-5,7H,1H2,2H3,(H,8,9)(H2,10,11,12)/t4-,5?/m0/s1
InChIKeyFSZBFPCTIHZWOR-ROLXFIACSA-N
MW209.14 g/mol
LogP-0.26
Rot. Bonds5

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

(2S)-2-(1-phosphonoprop-2-enylamino)propanoic acid (PubChem CID 87479265) has the molecular formula C6H12NO5P and a molecular weight of 209.14 g/mol. Its IUPAC name is (2S)-2-(1-phosphonoprop-2-enylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(1-phosphonoprop-2-enylamino)propanoic acid
PubChem CID87479265
Molecular FormulaC6H12NO5P
Molecular Weight209.14 g/mol
Exact Mass209.05
IUPAC Name(2S)-2-(1-phosphonoprop-2-enylamino)propanoic acid
SMILESC=CC(N[C@@H](C)C(=O)O)P(=O)(O)O
InChIInChI=1S/C6H12NO5P/c1-3-5(13(10,11)12)7-4(2)6(8)9/h3-5,7H,1H2,2H3,(H,8,9)(H2,10,11,12)/t4-,5?/m0/s1
InChIKeyFSZBFPCTIHZWOR-ROLXFIACSA-N
XLogP-0.26
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.14
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-5-oxo-2-(1-phosphonoprop-2-enylamino)pentanoic acid
CID 87478022
(2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid
CID 10953819
6-amino-2-(1-phosphonoprop-2-enylamino)hexanoic acid
CID 87476730
(2S)-2,6-bis(1-phosphonoprop-2-enylamino)hexanoic acid
CID 87493317
1-(2-methylprop-2-enoylamino)prop-2-enylphosphonic acid
CID 87684851
2-[[(1S)-1-carboxyethyl]amino]propanedioic acid
CID 87604666
2-[bis(1-phosphonoprop-2-enyl)amino]propanoic acid
CID 87495989
1-anilinoprop-2-enylphosphonic acid
CID 67832597
2-[[carboxy(hydroxy)methyl]amino]propanoic acid
CID 21195363
trisodium;2-(1-carboxyethylamino)propanedioic acid;hydride
CID 174988964
2-[bis(1-phosphonoprop-2-enyl)amino]-3-methylbutanoic acid
CID 87492014
(2S)-2-(1,3-dihydroxypropan-2-ylamino)propanoic acid
CID 139900903

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-phosphonoprop-2-enylamino)propanoic acid?
The IUPAC name of (2S)-2-(1-phosphonoprop-2-enylamino)propanoic acid (CID 87479265) is (2S)-2-(1-phosphonoprop-2-enylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(1-phosphonoprop-2-enylamino)propanoic acid?
The canonical SMILES for (2S)-2-(1-phosphonoprop-2-enylamino)propanoic acid is C=CC(N[C@@H](C)C(=O)O)P(=O)(O)O.
What is the InChIKey of (2S)-2-(1-phosphonoprop-2-enylamino)propanoic acid?
The InChIKey is FSZBFPCTIHZWOR-ROLXFIACSA-N. The full InChI is InChI=1S/C6H12NO5P/c1-3-5(13(10,11)12)7-4(2)6(8)9/h3-5,7H,1H2,2H3,(H,8,9)(H2,10,11,12)/t4-,5?/m0/s1.
What are the key properties of (2S)-2-(1-phosphonoprop-2-enylamino)propanoic acid?
(2S)-2-(1-phosphonoprop-2-enylamino)propanoic acid has a molecular weight of 209.14 g/mol, XLogP of -0.26, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-phosphonoprop-2-enylamino)propanoic acid is sourced from PubChem (CID 87479265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).