(2S)-2-[[methyl(oxolan-2-yl)carbamoyl]amino]propanoic acid

C9H16N2O4 — CID 155904090

IUPAC(2S)-2-[[methyl(oxolan-2-yl)carbamoyl]amino]propanoic acid
SMILESC[C@H](NC(=O)N(C)C1CCCO1)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-6(8(12)13)10-9(14)11(2)7-4-3-5-15-7/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)/t6-,7?/m0/s1
InChIKeyMIZGWZRNQLGAKS-PKPIPKONSA-N
MW216.24 g/mol
LogP0.24
Rot. Bonds3

About (2S)-2-[[methyl(oxolan-2-yl)carbamoyl]amino]propanoic acid

(2S)-2-[[methyl(oxolan-2-yl)carbamoyl]amino]propanoic acid (PubChem CID 155904090) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2S)-2-[[methyl(oxolan-2-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[methyl(oxolan-2-yl)carbamoyl]amino]propanoic acid
PubChem CID155904090
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name(2S)-2-[[methyl(oxolan-2-yl)carbamoyl]amino]propanoic acid
SMILESC[C@H](NC(=O)N(C)C1CCCO1)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-6(8(12)13)10-9(14)11(2)7-4-3-5-15-7/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)/t6-,7?/m0/s1
InChIKeyMIZGWZRNQLGAKS-PKPIPKONSA-N
XLogP0.24
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid
CID 78972171
(2R)-2-(oxolane-2-carbonylamino)propanoic acid
CID 20848014
(2R)-3-methyl-2-[[methyl(oxan-4-yl)carbamoyl]amino]butanoic acid
CID 79010218
2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]propanoic acid
CID 82041637
(2R)-2-(oxan-2-ylamino)propanoic acid
CID 68789041
3-methyl-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61436226
(2S)-3-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]butanoic acid
CID 82742598
1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
CID 110749026
(2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid
CID 61194675
3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid
CID 104855482
(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid
CID 78972118
(2S)-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid
CID 78967875

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[methyl(oxolan-2-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[methyl(oxolan-2-yl)carbamoyl]amino]propanoic acid (CID 155904090) is (2S)-2-[[methyl(oxolan-2-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[methyl(oxolan-2-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[methyl(oxolan-2-yl)carbamoyl]amino]propanoic acid is C[C@H](NC(=O)N(C)C1CCCO1)C(=O)O.
What is the InChIKey of (2S)-2-[[methyl(oxolan-2-yl)carbamoyl]amino]propanoic acid?
The InChIKey is MIZGWZRNQLGAKS-PKPIPKONSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-6(8(12)13)10-9(14)11(2)7-4-3-5-15-7/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)/t6-,7?/m0/s1.
What are the key properties of (2S)-2-[[methyl(oxolan-2-yl)carbamoyl]amino]propanoic acid?
(2S)-2-[[methyl(oxolan-2-yl)carbamoyl]amino]propanoic acid has a molecular weight of 216.24 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[methyl(oxolan-2-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 155904090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).