(2S)-2-amino-3-(carbamoylamino)propanoic acid;hydrochloride

C4H10ClN3O3 — CID 24854389

IUPAC(2S)-2-amino-3-(carbamoylamino)propanoic acid;hydrochloride
SMILESCl.NC(=O)NC[C@H](N)C(=O)O
InChIInChI=1S/C4H9N3O3.ClH/c5-2(3(8)9)1-7-4(6)10;/h2H,1,5H2,(H,8,9)(H3,6,7,10);1H/t2-;/m0./s1
InChIKeyPYZUETZCYPNJPS-DKWTVANSSA-N
MW183.59 g/mol
LogP-1.51
Rot. Bonds3

About (2S)-2-amino-3-(carbamoylamino)propanoic acid;hydrochloride

(2S)-2-amino-3-(carbamoylamino)propanoic acid;hydrochloride (PubChem CID 24854389) has the molecular formula C4H10ClN3O3 and a molecular weight of 183.59 g/mol. Its IUPAC name is (2S)-2-amino-3-(carbamoylamino)propanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(carbamoylamino)propanoic acid;hydrochloride
PubChem CID24854389
Molecular FormulaC4H10ClN3O3
Molecular Weight183.59 g/mol
Exact Mass183.04
IUPAC Name(2S)-2-amino-3-(carbamoylamino)propanoic acid;hydrochloride
SMILESCl.NC(=O)NC[C@H](N)C(=O)O
InChIInChI=1S/C4H9N3O3.ClH/c5-2(3(8)9)1-7-4(6)10;/h2H,1,5H2,(H,8,9)(H3,6,7,10);1H/t2-;/m0./s1
InChIKeyPYZUETZCYPNJPS-DKWTVANSSA-N
XLogP-1.51
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.59
LogP ≤ 5-1.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-amino-3-hydrazinyl-3-oxopropyl]urea
CID 175144137
2-amino-3-[(2-aminoacetyl)amino]propanoic acid
CID 14721793
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride
CID 72941546
2-amino-3-(propanoylamino)propanoic acid
CID 59142099
2-amino-3-hydrazinylpropanoic acid
CID 155021010
(2S)-2-amino-3-[[(2S)-4-amino-2-bromo-4-oxobutanoyl]amino]propanoic acid
CID 10468960
2-amino-5-(carbamoylamino)-5,5-dideuteriopentanoic acid
CID 46932128
2-amino-3-(3-aminobutanoylamino)propanoic acid
CID 123589303
(2S)-2-amino-3-(3-methylbutanoylamino)propanoic acid
CID 169059714
bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc
CID 166523784
(2S)-2-amino-3-[(2-amino-3-hydroxybutanoyl)amino]propanoic acid
CID 155095224
(2S)-2-amino-5-(carbamoylamino)-4,4-dideuteriopentanoic acid
CID 123785846

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(carbamoylamino)propanoic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-3-(carbamoylamino)propanoic acid;hydrochloride (CID 24854389) is (2S)-2-amino-3-(carbamoylamino)propanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(carbamoylamino)propanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-(carbamoylamino)propanoic acid;hydrochloride is Cl.NC(=O)NC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(carbamoylamino)propanoic acid;hydrochloride?
The InChIKey is PYZUETZCYPNJPS-DKWTVANSSA-N. The full InChI is InChI=1S/C4H9N3O3.ClH/c5-2(3(8)9)1-7-4(6)10;/h2H,1,5H2,(H,8,9)(H3,6,7,10);1H/t2-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(carbamoylamino)propanoic acid;hydrochloride?
(2S)-2-amino-3-(carbamoylamino)propanoic acid;hydrochloride has a molecular weight of 183.59 g/mol, XLogP of -1.51, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(carbamoylamino)propanoic acid;hydrochloride is sourced from PubChem (CID 24854389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).