2-amino-N-(3-amino-3-oxopropyl)butanamide

C7H15N3O2 — CID 43649631

IUPAC2-amino-N-(3-amino-3-oxopropyl)butanamide
SMILESCCC(N)C(=O)NCCC(N)=O
InChIInChI=1S/C7H15N3O2/c1-2-5(8)7(12)10-4-3-6(9)11/h5H,2-4,8H2,1H3,(H2,9,11)(H,10,12)
InChIKeyUSBSWSPCFOEOLW-UHFFFAOYSA-N
MW173.22 g/mol
LogP-1.28
Rot. Bonds5

About 2-amino-N-(3-amino-3-oxopropyl)butanamide

2-amino-N-(3-amino-3-oxopropyl)butanamide (PubChem CID 43649631) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-amino-N-(3-amino-3-oxopropyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(3-amino-3-oxopropyl)butanamide
PubChem CID43649631
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name2-amino-N-(3-amino-3-oxopropyl)butanamide
SMILESCCC(N)C(=O)NCCC(N)=O
InChIInChI=1S/C7H15N3O2/c1-2-5(8)7(12)10-4-3-6(9)11/h5H,2-4,8H2,1H3,(H2,9,11)(H,10,12)
InChIKeyUSBSWSPCFOEOLW-UHFFFAOYSA-N
XLogP-1.28
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 ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2-aminobutanoylamino)propanoate
CID 61252896
2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide
CID 62473721
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-methylbutanamide
CID 79011495
(2R)-2-amino-N-pent-3-ynylbutanamide
CID 104891645
2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanediamide
CID 143230381
(2R)-2-amino-N-tetradecylbutanamide
CID 158842614
N-(3-amino-3-oxopropyl)-3-chloro-2-methylpropanamide
CID 62728851
(2S)-2-amino-N-(5-amino-5-oxopentyl)pentanamide
CID 106235890
(2R)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide
CID 83110467
2-aminobutanoic acid;butanediamide
CID 87949418
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 61156108
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904759

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-amino-3-oxopropyl)butanamide?
The IUPAC name of 2-amino-N-(3-amino-3-oxopropyl)butanamide (CID 43649631) is 2-amino-N-(3-amino-3-oxopropyl)butanamide.
What is the SMILES notation for 2-amino-N-(3-amino-3-oxopropyl)butanamide?
The canonical SMILES for 2-amino-N-(3-amino-3-oxopropyl)butanamide is CCC(N)C(=O)NCCC(N)=O.
What is the InChIKey of 2-amino-N-(3-amino-3-oxopropyl)butanamide?
The InChIKey is USBSWSPCFOEOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-2-5(8)7(12)10-4-3-6(9)11/h5H,2-4,8H2,1H3,(H2,9,11)(H,10,12).
What are the key properties of 2-amino-N-(3-amino-3-oxopropyl)butanamide?
2-amino-N-(3-amino-3-oxopropyl)butanamide has a molecular weight of 173.22 g/mol, XLogP of -1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-amino-3-oxopropyl)butanamide is sourced from PubChem (CID 43649631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).