2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanamide

C10H22N4O2 — CID 103241874

IUPAC2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanamide
SMILESCCC(C)NC(=O)CCNCC(N)C(N)=O
InChIInChI=1S/C10H22N4O2/c1-3-7(2)14-9(15)4-5-13-6-8(11)10(12)16/h7-8,13H,3-6,11H2,1-2H3,(H2,12,16)(H,14,15)
InChIKeyNVFIOBLNKXIPOT-UHFFFAOYSA-N
MW230.31 g/mol
LogP-1.31
Rot. Bonds8

About 2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanamide

2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanamide (PubChem CID 103241874) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanamide.

Molecular Properties

Compound Name2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanamide
PubChem CID103241874
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Name2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanamide
SMILESCCC(C)NC(=O)CCNCC(N)C(N)=O
InChIInChI=1S/C10H22N4O2/c1-3-7(2)14-9(15)4-5-13-6-8(11)10(12)16/h7-8,13H,3-6,11H2,1-2H3,(H2,12,16)(H,14,15)
InChIKeyNVFIOBLNKXIPOT-UHFFFAOYSA-N
XLogP-1.31
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-1.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(3-amino-3-hydroxyimino-2-methylpropyl)amino]-N-butan-2-ylpropanamide
CID 77028304
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanamide
CID 62899086
N-butan-2-yl-3-(2,3-dihydroxypropylamino)propanamide
CID 76892935
2-amino-3-(butylamino)propanamide
CID 103232681
3-[(2-amino-2-hydroxyiminoethyl)amino]-N-butan-2-ylpropanamide
CID 77030584
2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanediamide
CID 143230381
2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119297115
3-amino-4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 64896520
N-butan-2-yl-3-(2-ethylsulfonylethylamino)propanamide
CID 54901013
N-butan-2-yl-3-(2-phenylpropylamino)propanamide
CID 54893679
3-[(5-amino-5-hydroxyiminopentyl)amino]-N-butan-2-ylpropanamide
CID 77028307
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid
CID 64667377

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanamide?
The IUPAC name of 2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanamide (CID 103241874) is 2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanamide.
What is the SMILES notation for 2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanamide?
The canonical SMILES for 2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanamide is CCC(C)NC(=O)CCNCC(N)C(N)=O.
What is the InChIKey of 2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanamide?
The InChIKey is NVFIOBLNKXIPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-3-7(2)14-9(15)4-5-13-6-8(11)10(12)16/h7-8,13H,3-6,11H2,1-2H3,(H2,12,16)(H,14,15).
What are the key properties of 2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanamide?
2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanamide has a molecular weight of 230.31 g/mol, XLogP of -1.31, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanamide is sourced from PubChem (CID 103241874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).