(2S)-2-amino-3-[carbamoyl(hydroxy)amino]propanoic acid

C4H9N3O4 — CID 45122458

IUPAC(2S)-2-amino-3-[carbamoyl(hydroxy)amino]propanoic acid
SMILESNC(=O)N(O)C[C@H](N)C(=O)O
InChIInChI=1S/C4H9N3O4/c5-2(3(8)9)1-7(11)4(6)10/h2,11H,1,5H2,(H2,6,10)(H,8,9)/t2-/m0/s1
InChIKeyCZFKAPXAPMQYCJ-REOHCLBHSA-N
MW163.13 g/mol
LogP-1.83
Rot. Bonds3

About (2S)-2-amino-3-[carbamoyl(hydroxy)amino]propanoic acid

(2S)-2-amino-3-[carbamoyl(hydroxy)amino]propanoic acid (PubChem CID 45122458) has the molecular formula C4H9N3O4 and a molecular weight of 163.13 g/mol. Its IUPAC name is (2S)-2-amino-3-[carbamoyl(hydroxy)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[carbamoyl(hydroxy)amino]propanoic acid
PubChem CID45122458
Molecular FormulaC4H9N3O4
Molecular Weight163.13 g/mol
Exact Mass163.06
IUPAC Name(2S)-2-amino-3-[carbamoyl(hydroxy)amino]propanoic acid
SMILESNC(=O)N(O)C[C@H](N)C(=O)O
InChIInChI=1S/C4H9N3O4/c5-2(3(8)9)1-7(11)4(6)10/h2,11H,1,5H2,(H2,6,10)(H,8,9)/t2-/m0/s1
InChIKeyCZFKAPXAPMQYCJ-REOHCLBHSA-N
XLogP-1.83
TPSA129.88 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-[bis(sulfanyl)amino]propanoic acid
CID 146014553
(2S)-2-amino-3-(dimethylamino)propanoic acid;hydrate;dihydrochloride
CID 90471472
(2R)-2-amino-3-(diethylamino)propanoic acid
CID 45082341
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-amino-3-[bis(2-sulfanylacetyl)amino]propanoic acid
CID 87991276
2-amino-3-hydroxypropanoic acid;urea
CID 90283765
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
2,3-diaminopropanoic acid
CID 160927094
2-aminobutanedioic acid;carbamic acid
CID 87364941
bis(2,4-diamino-4-oxobutanoic acid);palladium
CID 3531876
(2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride
CID 135331136
(2S)-2-amino-3-[propan-2-yl(sulfamoyl)amino]propanoic acid
CID 174670415

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[carbamoyl(hydroxy)amino]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[carbamoyl(hydroxy)amino]propanoic acid (CID 45122458) is (2S)-2-amino-3-[carbamoyl(hydroxy)amino]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[carbamoyl(hydroxy)amino]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[carbamoyl(hydroxy)amino]propanoic acid is NC(=O)N(O)C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[carbamoyl(hydroxy)amino]propanoic acid?
The InChIKey is CZFKAPXAPMQYCJ-REOHCLBHSA-N. The full InChI is InChI=1S/C4H9N3O4/c5-2(3(8)9)1-7(11)4(6)10/h2,11H,1,5H2,(H2,6,10)(H,8,9)/t2-/m0/s1.
What are the key properties of (2S)-2-amino-3-[carbamoyl(hydroxy)amino]propanoic acid?
(2S)-2-amino-3-[carbamoyl(hydroxy)amino]propanoic acid has a molecular weight of 163.13 g/mol, XLogP of -1.83, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[carbamoyl(hydroxy)amino]propanoic acid is sourced from PubChem (CID 45122458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).