(2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide

C12H23N3O2 — CID 79401066

IUPAC(2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C12H23N3O2/c1-8(2)7-10(13)12(17)14-6-5-11(16)15-9-3-4-9/h8-10H,3-7,13H2,1-2H3,(H,14,17)(H,15,16)/t10-/m0/s1
InChIKeyOCQTWQXVRSGBBF-JTQLQIEISA-N
MW241.33 g/mol
LogP0.14
Rot. Bonds7

About (2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide

(2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide (PubChem CID 79401066) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide
PubChem CID79401066
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C12H23N3O2/c1-8(2)7-10(13)12(17)14-6-5-11(16)15-9-3-4-9/h8-10H,3-7,13H2,1-2H3,(H,14,17)(H,15,16)/t10-/m0/s1
InChIKeyOCQTWQXVRSGBBF-JTQLQIEISA-N
XLogP0.14
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 79400915
2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]pentanamide
CID 79401443
4-amino-5-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-oxopentanoic acid
CID 79400919
N-[3-(cyclopropylamino)-3-oxopropyl]-2-(methylamino)propanamide
CID 79400764
(2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119299474
(2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide
CID 79401766
N-cyclopropyl-3-[(2,2-difluoroacetyl)amino]propanamide
CID 103515809
(2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-4-methylpentanoic acid
CID 79401644
(2S)-2-amino-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]pentanamide;hydrochloride
CID 119703887
2-amino-4-methyl-N-(oxan-4-yl)pentanamide
CID 43610149
2-cyano-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
CID 79401165
3-amino-N-[3-(cyclohexylamino)-3-oxopropyl]butanamide;hydrochloride
CID 119741948

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide (CID 79401066) is (2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NCCC(=O)NC1CC1.
What is the InChIKey of (2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide?
The InChIKey is OCQTWQXVRSGBBF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23N3O2/c1-8(2)7-10(13)12(17)14-6-5-11(16)15-9-3-4-9/h8-10H,3-7,13H2,1-2H3,(H,14,17)(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide?
(2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide has a molecular weight of 241.33 g/mol, XLogP of 0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide is sourced from PubChem (CID 79401066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).