carbamoyl (2R)-2-aminopropanoate

C4H8N2O3 — CID 139238224

IUPACcarbamoyl (2R)-2-aminopropanoate
SMILESC[C@@H](N)C(=O)OC(N)=O
InChIInChI=1S/C4H8N2O3/c1-2(5)3(7)9-4(6)8/h2H,5H2,1H3,(H2,6,8)/t2-/m1/s1
InChIKeyQHNOLRWEZPMAST-UWTATZPHSA-N
MW132.12 g/mol
LogP-1.04
Rot. Bonds1

About carbamoyl (2R)-2-aminopropanoate

carbamoyl (2R)-2-aminopropanoate (PubChem CID 139238224) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is carbamoyl (2R)-2-aminopropanoate.

Molecular Properties

Compound Namecarbamoyl (2R)-2-aminopropanoate
PubChem CID139238224
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Namecarbamoyl (2R)-2-aminopropanoate
SMILESC[C@@H](N)C(=O)OC(N)=O
InChIInChI=1S/C4H8N2O3/c1-2(5)3(7)9-4(6)8/h2H,5H2,1H3,(H2,6,8)/t2-/m1/s1
InChIKeyQHNOLRWEZPMAST-UWTATZPHSA-N
XLogP-1.04
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate
CID 54111393
acetyl (2R)-2-aminopropanoate
CID 11829476
bis(2-aminopropanoyl) butanedioate
CID 90109701
2-bromopropanoyl (2S)-2-aminopropanoate
CID 87794605
bis(2-aminopropanoyl) (Z)-but-2-enedioate
CID 90107936
methyl 2-aminopropanoate
CID 159707893
ethoxycarbonyl (2S)-2-aminopropanoate
CID 57068155
2-aminopropanamide;ethane
CID 156828005
2-aminopropanamide;dihydrochloride
CID 19963402
[(2S)-2-aminopropanoyl] (2S,3S)-2-amino-3-methylpentanoate
CID 57005040
(2-methylpropan-2-yl)oxycarbonyl (2S)-2-aminopropanoate
CID 54386102
isocyano (2S)-2-aminopropanoate
CID 123737583

Frequently Asked Questions

What is the IUPAC name of carbamoyl (2R)-2-aminopropanoate?
The IUPAC name of carbamoyl (2R)-2-aminopropanoate (CID 139238224) is carbamoyl (2R)-2-aminopropanoate.
What is the SMILES notation for carbamoyl (2R)-2-aminopropanoate?
The canonical SMILES for carbamoyl (2R)-2-aminopropanoate is C[C@@H](N)C(=O)OC(N)=O.
What is the InChIKey of carbamoyl (2R)-2-aminopropanoate?
The InChIKey is QHNOLRWEZPMAST-UWTATZPHSA-N. The full InChI is InChI=1S/C4H8N2O3/c1-2(5)3(7)9-4(6)8/h2H,5H2,1H3,(H2,6,8)/t2-/m1/s1.
What are the key properties of carbamoyl (2R)-2-aminopropanoate?
carbamoyl (2R)-2-aminopropanoate has a molecular weight of 132.12 g/mol, XLogP of -1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl (2R)-2-aminopropanoate is sourced from PubChem (CID 139238224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).