(2R)-2-azaniumyl-3-(carbamoylamino)propanoate

C4H9N3O3 — CID 6993020

IUPAC(2R)-2-azaniumyl-3-(carbamoylamino)propanoate
SMILESNC(=O)NC[C@@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C4H9N3O3/c5-2(3(8)9)1-7-4(6)10/h2H,1,5H2,(H,8,9)(H3,6,7,10)/t2-/m1/s1
InChIKeyGZYFIMLSHBLMKF-UWTATZPHSA-N
MW147.13 g/mol
LogP-3.98
Rot. Bonds3

About (2R)-2-azaniumyl-3-(carbamoylamino)propanoate

(2R)-2-azaniumyl-3-(carbamoylamino)propanoate (PubChem CID 6993020) has the molecular formula C4H9N3O3 and a molecular weight of 147.13 g/mol. Its IUPAC name is (2R)-2-azaniumyl-3-(carbamoylamino)propanoate.

Molecular Properties

Compound Name(2R)-2-azaniumyl-3-(carbamoylamino)propanoate
PubChem CID6993020
Molecular FormulaC4H9N3O3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name(2R)-2-azaniumyl-3-(carbamoylamino)propanoate
SMILESNC(=O)NC[C@@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C4H9N3O3/c5-2(3(8)9)1-7-4(6)10/h2H,1,5H2,(H,8,9)(H3,6,7,10)/t2-/m1/s1
InChIKeyGZYFIMLSHBLMKF-UWTATZPHSA-N
XLogP-3.98
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-3.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 3-(carbamoylamino)-2-methylpropanoate
CID 175666948
(2S)-2-azaniumyl-4-(diaminomethylideneazaniumyloxy)butanoate
CID 36688185
(2S)-2-azaniumyl-2-(carbamoylamino)acetate
CID 46173475
2-azaniumyl-4-[hydroxy(oxido)phosphoryl]butanoate
CID 74551796
2-[(carbamoylamino)methyl]-3-methylbutanoic acid
CID 65218090
2-azaniumyl-3-sulfanylpropanoate
CID 5260155
(2R)-2-azaniumyl-3-[[(2R)-2-azaniumyl-2-carboxylatoethyl]disulfanyl]propanoate
CID 6992103
(2R)-2-ammonio-3-selanylpropanoate
CID 25245418
(2S)-2-azaniumyl-3-chloropropanoate
CID 5287866
2-azaniumyl-3-[(2-azaniumyl-2-carboxylatoethyl)disulfanyl]propanoate
CID 24798687
[(2R)-2,3-dihydroxypropyl]urea
CID 88558789
[(2R)-1-(carbamoylamino)propan-2-yl]urea
CID 3246036

Frequently Asked Questions

What is the IUPAC name of (2R)-2-azaniumyl-3-(carbamoylamino)propanoate?
The IUPAC name of (2R)-2-azaniumyl-3-(carbamoylamino)propanoate (CID 6993020) is (2R)-2-azaniumyl-3-(carbamoylamino)propanoate.
What is the SMILES notation for (2R)-2-azaniumyl-3-(carbamoylamino)propanoate?
The canonical SMILES for (2R)-2-azaniumyl-3-(carbamoylamino)propanoate is NC(=O)NC[C@@H]([NH3+])C(=O)[O-].
What is the InChIKey of (2R)-2-azaniumyl-3-(carbamoylamino)propanoate?
The InChIKey is GZYFIMLSHBLMKF-UWTATZPHSA-N. The full InChI is InChI=1S/C4H9N3O3/c5-2(3(8)9)1-7-4(6)10/h2H,1,5H2,(H,8,9)(H3,6,7,10)/t2-/m1/s1.
What are the key properties of (2R)-2-azaniumyl-3-(carbamoylamino)propanoate?
(2R)-2-azaniumyl-3-(carbamoylamino)propanoate has a molecular weight of 147.13 g/mol, XLogP of -3.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-azaniumyl-3-(carbamoylamino)propanoate is sourced from PubChem (CID 6993020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).