(2R)-2-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-3-methylbutanoic acid

C11H20N2O4 — CID 104869582

IUPAC(2R)-2-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-3-methylbutanoic acid
SMILESC=CCN(CCO)C(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C11H20N2O4/c1-4-5-13(6-7-14)11(17)12-9(8(2)3)10(15)16/h4,8-9,14H,1,5-7H2,2-3H3,(H,12,17)(H,15,16)/t9-/m1/s1
InChIKeyDVFVFKZULRZFSQ-SECBINFHSA-N
MW244.29 g/mol
LogP0.29
Rot. Bonds7

About (2R)-2-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-3-methylbutanoic acid

(2R)-2-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-3-methylbutanoic acid (PubChem CID 104869582) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2R)-2-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-3-methylbutanoic acid
PubChem CID104869582
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2R)-2-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-3-methylbutanoic acid
SMILESC=CCN(CCO)C(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C11H20N2O4/c1-4-5-13(6-7-14)11(17)12-9(8(2)3)10(15)16/h4,8-9,14H,1,5-7H2,2-3H3,(H,12,17)(H,15,16)/t9-/m1/s1
InChIKeyDVFVFKZULRZFSQ-SECBINFHSA-N
XLogP0.29
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.29
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)-2-[bis(2-hydroxyethyl)carbamoylamino]-3-methylbutanoic acid
CID 61235989
1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea
CID 115633504
(2S)-2-[bis(2-hydroxyethyl)carbamoylamino]-3-methylpentanoic acid
CID 61234317
2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-3-methylbutanoic acid
CID 54995171
3-methyl-2-(prop-2-enylcarbamoylamino)butanoic acid
CID 3947242
2-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-3-methylbutanoic acid
CID 54998159
3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424113
3-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424205
3-methyl-2-[[prop-2-enyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]carbamoyl]amino]butanoic acid
CID 139922777
(2S)-2-amino-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
CID 104869516
N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 84572947
(2S,3R)-2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxybutanoic acid
CID 107481650

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-3-methylbutanoic acid (CID 104869582) is (2R)-2-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-3-methylbutanoic acid is C=CCN(CCO)C(=O)N[C@@H](C(=O)O)C(C)C.
What is the InChIKey of (2R)-2-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-3-methylbutanoic acid?
The InChIKey is DVFVFKZULRZFSQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-4-5-13(6-7-14)11(17)12-9(8(2)3)10(15)16/h4,8-9,14H,1,5-7H2,2-3H3,(H,12,17)(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-3-methylbutanoic acid?
(2R)-2-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-3-methylbutanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 104869582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).