(1-hydrazinyl-3-hydroxy-1-oxopropan-2-yl)carbamic acid

C4H9N3O4 — CID 146303988

IUPAC(1-hydrazinyl-3-hydroxy-1-oxopropan-2-yl)carbamic acid
SMILESNNC(=O)C(CO)NC(=O)O
InChIInChI=1S/C4H9N3O4/c5-7-3(9)2(1-8)6-4(10)11/h2,6,8H,1,5H2,(H,7,9)(H,10,11)
InChIKeyBLPHNZPKTIGJOS-UHFFFAOYSA-N
MW163.13 g/mol
LogP-2.40
Rot. Bonds3

About (1-hydrazinyl-3-hydroxy-1-oxopropan-2-yl)carbamic acid

(1-hydrazinyl-3-hydroxy-1-oxopropan-2-yl)carbamic acid (PubChem CID 146303988) has the molecular formula C4H9N3O4 and a molecular weight of 163.13 g/mol. Its IUPAC name is (1-hydrazinyl-3-hydroxy-1-oxopropan-2-yl)carbamic acid.

Molecular Properties

Compound Name(1-hydrazinyl-3-hydroxy-1-oxopropan-2-yl)carbamic acid
PubChem CID146303988
Molecular FormulaC4H9N3O4
Molecular Weight163.13 g/mol
Exact Mass163.06
IUPAC Name(1-hydrazinyl-3-hydroxy-1-oxopropan-2-yl)carbamic acid
SMILESNNC(=O)C(CO)NC(=O)O
InChIInChI=1S/C4H9N3O4/c5-7-3(9)2(1-8)6-4(10)11/h2,6,8H,1,5H2,(H,7,9)(H,10,11)
InChIKeyBLPHNZPKTIGJOS-UHFFFAOYSA-N
XLogP-2.40
TPSA124.68 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 5-2.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[1-[(1-hydrazinyl-3-hydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 165355789
[(2R)-1-hydrazinyl-1-oxopropan-2-yl]carbamic acid
CID 90311881
[1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid
CID 89440647
[(2R)-3-hydroxy-1-(4-methylanilino)-1-oxopropan-2-yl]carbamic acid
CID 90743753
[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid
CID 77465110
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
CID 145434364
2-[[2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
CID 18221139
4-(carbamoylamino)-5-hydrazinyl-5-oxopentanoic acid
CID 139469955
benzyl N-[(2S)-1-[[(2S)-1-hydrazinyl-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 131713861
3-amino-4-hydrazinyl-4-oxobutanoic acid
CID 18780182
[7-(2-ethyl-1,3-dioxolan-2-yl)-1-hydrazinyl-1-oxoheptan-2-yl]carbamic acid
CID 166729437
(2R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxypropanoic acid
CID 44630224

Frequently Asked Questions

What is the IUPAC name of (1-hydrazinyl-3-hydroxy-1-oxopropan-2-yl)carbamic acid?
The IUPAC name of (1-hydrazinyl-3-hydroxy-1-oxopropan-2-yl)carbamic acid (CID 146303988) is (1-hydrazinyl-3-hydroxy-1-oxopropan-2-yl)carbamic acid.
What is the SMILES notation for (1-hydrazinyl-3-hydroxy-1-oxopropan-2-yl)carbamic acid?
The canonical SMILES for (1-hydrazinyl-3-hydroxy-1-oxopropan-2-yl)carbamic acid is NNC(=O)C(CO)NC(=O)O.
What is the InChIKey of (1-hydrazinyl-3-hydroxy-1-oxopropan-2-yl)carbamic acid?
The InChIKey is BLPHNZPKTIGJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O4/c5-7-3(9)2(1-8)6-4(10)11/h2,6,8H,1,5H2,(H,7,9)(H,10,11).
What are the key properties of (1-hydrazinyl-3-hydroxy-1-oxopropan-2-yl)carbamic acid?
(1-hydrazinyl-3-hydroxy-1-oxopropan-2-yl)carbamic acid has a molecular weight of 163.13 g/mol, XLogP of -2.40, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydrazinyl-3-hydroxy-1-oxopropan-2-yl)carbamic acid is sourced from PubChem (CID 146303988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).