2-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-methylpentanamide

C12H23N3O2 — CID 113407095

IUPAC2-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC(C)C(=O)NC1CC1
InChIInChI=1S/C12H23N3O2/c1-4-7(2)10(13)12(17)14-8(3)11(16)15-9-5-6-9/h7-10H,4-6,13H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyGFYUSNKPMKMWBU-UHFFFAOYSA-N
MW241.34 g/mol
LogP0.14
Rot. Bonds6

About 2-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-methylpentanamide

2-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-methylpentanamide (PubChem CID 113407095) has the molecular formula C12H23N3O2 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-methylpentanamide
PubChem CID113407095
Molecular FormulaC12H23N3O2
Molecular Weight241.34 g/mol
Exact Mass241.18
IUPAC Name2-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC(C)C(=O)NC1CC1
InChIInChI=1S/C12H23N3O2/c1-4-7(2)10(13)12(17)14-8(3)11(16)15-9-5-6-9/h7-10H,4-6,13H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyGFYUSNKPMKMWBU-UHFFFAOYSA-N
XLogP0.14
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-cyclopropyl-3-methylpentanamide
CID 24695258
2-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 119756305
(2S,3S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 61154563
(2S,3S)-2-amino-3-methyl-N-(thian-4-yl)pentanamide
CID 103833033
2-amino-3-methyl-N-(oxan-4-yl)pentanamide
CID 43610144
(2S,3S)-2-amino-N-(1-cyclobutylethyl)-3-methylpentanamide
CID 103950949
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 61180289
2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylpentanamide;hydrochloride
CID 119728342
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoic acid;dihydrochloride
CID 160584478
2-amino-N-(1-ethylpiperidin-4-yl)-3-methylpentanamide
CID 54917233
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpropanamide
CID 115599512
(2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide
CID 93001596

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-methylpentanamide (CID 113407095) is 2-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-methylpentanamide is CCC(C)C(N)C(=O)NC(C)C(=O)NC1CC1.
What is the InChIKey of 2-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-methylpentanamide?
The InChIKey is GFYUSNKPMKMWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-7(2)10(13)12(17)14-8(3)11(16)15-9-5-6-9/h7-10H,4-6,13H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 2-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-methylpentanamide?
2-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-methylpentanamide has a molecular weight of 241.34 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-methylpentanamide is sourced from PubChem (CID 113407095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).