2-(propan-2-ylamino)butanediamide

C7H15N3O2 — CID 66427979

IUPAC2-(propan-2-ylamino)butanediamide
SMILESCC(C)NC(CC(N)=O)C(N)=O
InChIInChI=1S/C7H15N3O2/c1-4(2)10-5(7(9)12)3-6(8)11/h4-5,10H,3H2,1-2H3,(H2,8,11)(H2,9,12)
InChIKeyNELSOEUWFRCOQP-UHFFFAOYSA-N
MW173.22 g/mol
LogP-1.29
Rot. Bonds5

About 2-(propan-2-ylamino)butanediamide

2-(propan-2-ylamino)butanediamide (PubChem CID 66427979) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-(propan-2-ylamino)butanediamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)butanediamide
PubChem CID66427979
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name2-(propan-2-ylamino)butanediamide
SMILESCC(C)NC(CC(N)=O)C(N)=O
InChIInChI=1S/C7H15N3O2/c1-4(2)10-5(7(9)12)3-6(8)11/h4-5,10H,3H2,1-2H3,(H2,8,11)(H2,9,12)
InChIKeyNELSOEUWFRCOQP-UHFFFAOYSA-N
XLogP-1.29
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-propan-2-yl-2-(propan-2-ylamino)butanediamide
CID 66431400
4,4-dimethyl-2-(propan-2-ylamino)pentanamide
CID 62950415
(4S)-5-oxo-4-(propan-2-ylamino)hexanamide
CID 170374158
3-(propan-2-ylamino)hexane-2,5-dione
CID 178008293
2-(1,4-diaminobutan-2-ylamino)butanediamide
CID 130301075
ethyl 4-amino-3-(butan-2-ylamino)-4-oxobutanoate
CID 66432765
(3R)-3-acetamido-4-oxopentanamide
CID 58664367
2-(butan-2-ylamino)-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 66431515
2-(butan-2-ylamino)-N',N'-dimethylbutanediamide
CID 66431267
2-(methylamino)-3-[[3-oxo-2-(propan-2-ylamino)butyl]disulfanyl]propanamide
CID 91008719
(3S)-3-aminobutanamide;hydrochloride
CID 57478871
(2S)-4-amino-4-oxo-2-(propan-2-ylcarbamoylamino)butanoic acid
CID 28737850

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)butanediamide?
The IUPAC name of 2-(propan-2-ylamino)butanediamide (CID 66427979) is 2-(propan-2-ylamino)butanediamide.
What is the SMILES notation for 2-(propan-2-ylamino)butanediamide?
The canonical SMILES for 2-(propan-2-ylamino)butanediamide is CC(C)NC(CC(N)=O)C(N)=O.
What is the InChIKey of 2-(propan-2-ylamino)butanediamide?
The InChIKey is NELSOEUWFRCOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-4(2)10-5(7(9)12)3-6(8)11/h4-5,10H,3H2,1-2H3,(H2,8,11)(H2,9,12).
What are the key properties of 2-(propan-2-ylamino)butanediamide?
2-(propan-2-ylamino)butanediamide has a molecular weight of 173.22 g/mol, XLogP of -1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)butanediamide is sourced from PubChem (CID 66427979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).