[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate

C19H25ClN2O4 — CID 7648880

IUPAC[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
SMILESCC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)O[C@@H](C)C(=O)NC1CC1
InChIInChI=1S/C19H25ClN2O4/c1-11(2)10-16(22-18(24)13-4-6-14(20)7-5-13)19(25)26-12(3)17(23)21-15-8-9-15/h4-7,11-12,15-16H,8-10H2,1-3H3,(H,21,23)(H,22,24)/t12-,16+/m0/s1
InChIKeyOFBMRKJLABGYLN-BLLLJJGKSA-N
MW380.87 g/mol
LogP2.69
Rot. Bonds8

About [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate (PubChem CID 7648880) has the molecular formula C19H25ClN2O4 and a molecular weight of 380.87 g/mol. Its IUPAC name is [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Name[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
PubChem CID7648880
Molecular FormulaC19H25ClN2O4
Molecular Weight380.87 g/mol
Exact Mass380.15
IUPAC Name[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
SMILESCC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)O[C@@H](C)C(=O)NC1CC1
InChIInChI=1S/C19H25ClN2O4/c1-11(2)10-16(22-18(24)13-4-6-14(20)7-5-13)19(25)26-12(3)17(23)21-15-8-9-15/h4-7,11-12,15-16H,8-10H2,1-3H3,(H,21,23)(H,22,24)/t12-,16+/m0/s1
InChIKeyOFBMRKJLABGYLN-BLLLJJGKSA-N
XLogP2.69
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate with MolForge

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Related Compounds

[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2S)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7648874
[(1R)-1-cyanoethyl] (2S)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7648864
4-chloro-N-[1-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 60572049
4-chloro-N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 22444822
(2-acetamido-2-oxoethyl) (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 2128639
benzyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7351613
4-chloro-N-[(2S)-1-(cyclopropylamino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide
CID 9210184
4-chloro-N-[4-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pentan-2-yl]benzamide
CID 55469448
4-chloro-N-[(2R)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 35513680
4-chloro-N-[1-[(4-ethylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide
CID 112817108
3-cyanopropyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 55355112
4-chloro-N-[4-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)pentan-2-yl]benzamide
CID 119513660

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate?
The IUPAC name of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate (CID 7648880) is [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate.
What is the SMILES notation for [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate?
The canonical SMILES for [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate is CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)O[C@@H](C)C(=O)NC1CC1.
What is the InChIKey of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate?
The InChIKey is OFBMRKJLABGYLN-BLLLJJGKSA-N. The full InChI is InChI=1S/C19H25ClN2O4/c1-11(2)10-16(22-18(24)13-4-6-14(20)7-5-13)19(25)26-12(3)17(23)21-15-8-9-15/h4-7,11-12,15-16H,8-10H2,1-3H3,(H,21,23)(H,22,24)/t12-,16+/m0/s1.
What are the key properties of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate?
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate has a molecular weight of 380.87 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate is sourced from PubChem (CID 7648880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).