(2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide

C16H25N3O2 — CID 15296843

IUPAC(2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)N[C@@H](C)C(=O)NCc1ccccc1
InChIInChI=1S/C16H25N3O2/c1-11(2)9-14(17)16(21)19-12(3)15(20)18-10-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10,17H2,1-3H3,(H,18,20)(H,19,21)/t12-,14+/m0/s1
InChIKeyOHFPNPNDVQQPMB-GXTWGEPZSA-N
MW291.39 g/mol
LogP1.18
Rot. Bonds7

About (2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide

(2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide (PubChem CID 15296843) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide
PubChem CID15296843
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)N[C@@H](C)C(=O)NCc1ccccc1
InChIInChI=1S/C16H25N3O2/c1-11(2)9-14(17)16(21)19-12(3)15(20)18-10-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10,17H2,1-3H3,(H,18,20)(H,19,21)/t12-,14+/m0/s1
InChIKeyOHFPNPNDVQQPMB-GXTWGEPZSA-N
XLogP1.18
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide with MolForge

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Related Compounds

(2R)-2-amino-N-[(2S)-1-[[(2S)-1-[(4-iodophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-4-methylpentanamide
CID 71418566
benzyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoate
CID 16742166
(2S)-2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3,3-dimethylbutanamide
CID 119750973
benzyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoate;hydrochloride
CID 16742165
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593
(2S)-2-amino-N-(1-anilino-1-oxopropan-2-yl)-4-methylpentanamide;hydrochloride
CID 119785060
3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]butanamide
CID 119750989
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(2-methylpropyl)-N'-phenylmethoxypropanediamide
CID 10717280
2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3-methylpentanamide;hydrochloride
CID 119750986
(2S)-2-amino-4-methylpentanoic acid;benzylcarbamic acid
CID 70255387
2-[(2-aminoacetyl)amino]-N-benzylpropanamide
CID 119304547
N-benzyl-2-(methylcarbamoylamino)propanamide
CID 47377374

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide (CID 15296843) is (2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide is CC(C)C[C@@H](N)C(=O)N[C@@H](C)C(=O)NCc1ccccc1.
What is the InChIKey of (2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide?
The InChIKey is OHFPNPNDVQQPMB-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)9-14(17)16(21)19-12(3)15(20)18-10-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10,17H2,1-3H3,(H,18,20)(H,19,21)/t12-,14+/m0/s1.
What are the key properties of (2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide?
(2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide has a molecular weight of 291.39 g/mol, XLogP of 1.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide is sourced from PubChem (CID 15296843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).