(2S)-3-(carbamoylamino)-2-methylpropanoic acid

C5H10N2O3 — CID 88558720

IUPAC(2S)-3-(carbamoylamino)-2-methylpropanoic acid
SMILESC[C@@H](CNC(N)=O)C(=O)O
InChIInChI=1S/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)/t3-/m0/s1
InChIKeyPHENTZNALBMCQD-VKHMYHEASA-N
MW146.15 g/mol
LogP-0.62
Rot. Bonds3

About (2S)-3-(carbamoylamino)-2-methylpropanoic acid

(2S)-3-(carbamoylamino)-2-methylpropanoic acid (PubChem CID 88558720) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is (2S)-3-(carbamoylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name(2S)-3-(carbamoylamino)-2-methylpropanoic acid
PubChem CID88558720
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name(2S)-3-(carbamoylamino)-2-methylpropanoic acid
SMILESC[C@@H](CNC(N)=O)C(=O)O
InChIInChI=1S/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)/t3-/m0/s1
InChIKeyPHENTZNALBMCQD-VKHMYHEASA-N
XLogP-0.62
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-carbamoyl-beta-alanine
CID 111
beta-Ureidoisobutyric acid
CID 160663
alpha-Fluoro-beta-ureidopropionic acid
CID 151244
(R)-3-Ureidoisobutyrate
CID 55289370
3-Ureidoisobutyrate(1-)
CID 21123869
1-(Methylcarbamoyl)azetidine-3-carboxylic acid
CID 65962082
2-Oxo-1,3-diazinane-5-carboxylic acid
CID 89475352
beta-Fluoro-betaureido-propionic acid
CID 53429071
beta-Alanine, N-carbamoyl-, methyl ester
CID 60703115
(R)-3-ureido-isobutyrate
CID 91820371
Fluoroureidopropionic acid
CID 161771
2-Iodo-3-ureidopropionic acid
CID 191610

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(carbamoylamino)-2-methylpropanoic acid?
The IUPAC name of (2S)-3-(carbamoylamino)-2-methylpropanoic acid (CID 88558720) is (2S)-3-(carbamoylamino)-2-methylpropanoic acid.
What is the SMILES notation for (2S)-3-(carbamoylamino)-2-methylpropanoic acid?
The canonical SMILES for (2S)-3-(carbamoylamino)-2-methylpropanoic acid is C[C@@H](CNC(N)=O)C(=O)O.
What is the InChIKey of (2S)-3-(carbamoylamino)-2-methylpropanoic acid?
The InChIKey is PHENTZNALBMCQD-VKHMYHEASA-N. The full InChI is InChI=1S/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)/t3-/m0/s1.
What are the key properties of (2S)-3-(carbamoylamino)-2-methylpropanoic acid?
(2S)-3-(carbamoylamino)-2-methylpropanoic acid has a molecular weight of 146.15 g/mol, XLogP of -0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(carbamoylamino)-2-methylpropanoic acid is sourced from PubChem (CID 88558720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).