(2S)-2-hydroxy-4-[[prop-2-enyl(propyl)carbamoyl]amino]butanoic acid

C11H20N2O4 — CID 107840714

IUPAC(2S)-2-hydroxy-4-[[prop-2-enyl(propyl)carbamoyl]amino]butanoic acid
SMILESC=CCN(CCC)C(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-7-13(8-4-2)11(17)12-6-5-9(14)10(15)16/h3,9,14H,1,4-8H2,2H3,(H,12,17)(H,15,16)/t9-/m0/s1
InChIKeyZUYXEBOFVNCRNN-VIFPVBQESA-N
MW244.29 g/mol
LogP0.43
Rot. Bonds8

About (2S)-2-hydroxy-4-[[prop-2-enyl(propyl)carbamoyl]amino]butanoic acid

(2S)-2-hydroxy-4-[[prop-2-enyl(propyl)carbamoyl]amino]butanoic acid (PubChem CID 107840714) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-[[prop-2-enyl(propyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-[[prop-2-enyl(propyl)carbamoyl]amino]butanoic acid
PubChem CID107840714
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2S)-2-hydroxy-4-[[prop-2-enyl(propyl)carbamoyl]amino]butanoic acid
SMILESC=CCN(CCC)C(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-7-13(8-4-2)11(17)12-6-5-9(14)10(15)16/h3,9,14H,1,4-8H2,2H3,(H,12,17)(H,15,16)/t9-/m0/s1
InChIKeyZUYXEBOFVNCRNN-VIFPVBQESA-N
XLogP0.43
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxybutanoic acid
CID 107839519
(2S)-4-[[cyclopropylmethyl(propyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838868
4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838885
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838341
4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid
CID 104936189
5-[bis(prop-2-enyl)carbamoylamino]-2-methylpentanoic acid
CID 113441173
4-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839223
4-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839151
(2R)-5-methoxy-5-oxo-2-[[prop-2-enyl(propyl)carbamoyl]amino]pentanoic acid
CID 107828628
(2S)-4-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-2-hydroxybutanoic acid
CID 107839988
4-(but-3-en-2-ylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841105
(2S)-2-hydroxy-4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 114007339

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-[[prop-2-enyl(propyl)carbamoyl]amino]butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-[[prop-2-enyl(propyl)carbamoyl]amino]butanoic acid (CID 107840714) is (2S)-2-hydroxy-4-[[prop-2-enyl(propyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-[[prop-2-enyl(propyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-[[prop-2-enyl(propyl)carbamoyl]amino]butanoic acid is C=CCN(CCC)C(=O)NCC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-4-[[prop-2-enyl(propyl)carbamoyl]amino]butanoic acid?
The InChIKey is ZUYXEBOFVNCRNN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-7-13(8-4-2)11(17)12-6-5-9(14)10(15)16/h3,9,14H,1,4-8H2,2H3,(H,12,17)(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-[[prop-2-enyl(propyl)carbamoyl]amino]butanoic acid?
(2S)-2-hydroxy-4-[[prop-2-enyl(propyl)carbamoyl]amino]butanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.43, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-[[prop-2-enyl(propyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 107840714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).