2-amino-N-carbamoylbutanediamide

C5H10N4O3 — CID 79194218

IUPAC2-amino-N-carbamoylbutanediamide
SMILESNC(=O)CC(N)C(=O)NC(N)=O
InChIInChI=1S/C5H10N4O3/c6-2(1-3(7)10)4(11)9-5(8)12/h2H,1,6H2,(H2,7,10)(H3,8,9,11,12)
InChIKeyOYFUUJJMAMYUQV-UHFFFAOYSA-N
MW174.16 g/mol
LogP-2.62
Rot. Bonds3

About 2-amino-N-carbamoylbutanediamide

2-amino-N-carbamoylbutanediamide (PubChem CID 79194218) has the molecular formula C5H10N4O3 and a molecular weight of 174.16 g/mol. Its IUPAC name is 2-amino-N-carbamoylbutanediamide.

Molecular Properties

Compound Name2-amino-N-carbamoylbutanediamide
PubChem CID79194218
Molecular FormulaC5H10N4O3
Molecular Weight174.16 g/mol
Exact Mass174.08
IUPAC Name2-amino-N-carbamoylbutanediamide
SMILESNC(=O)CC(N)C(=O)NC(N)=O
InChIInChI=1S/C5H10N4O3/c6-2(1-3(7)10)4(11)9-5(8)12/h2H,1,6H2,(H2,7,10)(H3,8,9,11,12)
InChIKeyOYFUUJJMAMYUQV-UHFFFAOYSA-N
XLogP-2.62
TPSA141.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-2.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-prop-2-enoylbutanediamide
CID 146479347
(2R)-2-amino-N-carbamoylpentanamide
CID 107570048
2-amino-N-(2,2-dihydroxyethyl)butanediamide
CID 154111575
(4S)-4-amino-5-(carbamoylamino)-5-oxopentanoic acid
CID 54163471
2-amino-N-ethylsulfonylbutanediamide
CID 103306832
2-amino-N-(3-hydroxybutyl)butanediamide
CID 64912890
(3R)-3-amino-4-oxohexanamide
CID 139478456
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)butanediamide
CID 63296967
2-amino-N-(2-methylbutan-2-yl)butanediamide
CID 60849148
3-[(2,4-diamino-4-oxobutanoyl)amino]-2-hydroxypropanoic acid
CID 66168013
2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)butanediamide
CID 106187946
bis(2,4-diamino-4-oxobutanoic acid);palladium
CID 3531876

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-carbamoylbutanediamide?
The IUPAC name of 2-amino-N-carbamoylbutanediamide (CID 79194218) is 2-amino-N-carbamoylbutanediamide.
What is the SMILES notation for 2-amino-N-carbamoylbutanediamide?
The canonical SMILES for 2-amino-N-carbamoylbutanediamide is NC(=O)CC(N)C(=O)NC(N)=O.
What is the InChIKey of 2-amino-N-carbamoylbutanediamide?
The InChIKey is OYFUUJJMAMYUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O3/c6-2(1-3(7)10)4(11)9-5(8)12/h2H,1,6H2,(H2,7,10)(H3,8,9,11,12).
What are the key properties of 2-amino-N-carbamoylbutanediamide?
2-amino-N-carbamoylbutanediamide has a molecular weight of 174.16 g/mol, XLogP of -2.62, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-carbamoylbutanediamide is sourced from PubChem (CID 79194218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).