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

C5H10N2O3 — CID 94520574

IUPAC(2S)-2-[carbamoyl(methyl)amino]propanoic acid
SMILESC[C@@H](C(=O)O)N(C)C(N)=O
InChIInChI=1S/C5H10N2O3/c1-3(4(8)9)7(2)5(6)10/h3H,1-2H3,(H2,6,10)(H,8,9)/t3-/m0/s1
InChIKeyPSXXKGJXVFZKFB-VKHMYHEASA-N
MW146.15 g/mol
LogP-0.53
Rot. Bonds2

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

(2S)-2-[carbamoyl(methyl)amino]propanoic acid (PubChem CID 94520574) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is (2S)-2-[carbamoyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[carbamoyl(methyl)amino]propanoic acid
PubChem CID94520574
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name(2S)-2-[carbamoyl(methyl)amino]propanoic acid
SMILESC[C@@H](C(=O)O)N(C)C(N)=O
InChIInChI=1S/C5H10N2O3/c1-3(4(8)9)7(2)5(6)10/h3H,1-2H3,(H2,6,10)(H,8,9)/t3-/m0/s1
InChIKeyPSXXKGJXVFZKFB-VKHMYHEASA-N
XLogP-0.53
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[carbamoyl(methyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[carbamoyl(methyl)amino]propanoic acid (CID 94520574) is (2S)-2-[carbamoyl(methyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[carbamoyl(methyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[carbamoyl(methyl)amino]propanoic acid is C[C@@H](C(=O)O)N(C)C(N)=O.
What is the InChIKey of (2S)-2-[carbamoyl(methyl)amino]propanoic acid?
The InChIKey is PSXXKGJXVFZKFB-VKHMYHEASA-N. The full InChI is InChI=1S/C5H10N2O3/c1-3(4(8)9)7(2)5(6)10/h3H,1-2H3,(H2,6,10)(H,8,9)/t3-/m0/s1.
What are the key properties of (2S)-2-[carbamoyl(methyl)amino]propanoic acid?
(2S)-2-[carbamoyl(methyl)amino]propanoic acid has a molecular weight of 146.15 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[carbamoyl(methyl)amino]propanoic acid is sourced from PubChem (CID 94520574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).