(2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide

C20H27N3O — CID 155539641

IUPAC(2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide
SMILESNCCC[C@H](N)C(=O)NC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H27N3O/c21-13-7-12-19(22)20(24)23-18(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15,21-22H2,(H,23,24)/t19-/m0/s1
InChIKeyVRFFBMAZBSWKSU-IBGZPJMESA-N
MW325.46 g/mol
LogP2.02
Rot. Bonds9

About (2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide

(2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide (PubChem CID 155539641) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is (2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide
PubChem CID155539641
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name(2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide
SMILESNCCC[C@H](N)C(=O)NC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H27N3O/c21-13-7-12-19(22)20(24)23-18(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15,21-22H2,(H,23,24)/t19-/m0/s1
InChIKeyVRFFBMAZBSWKSU-IBGZPJMESA-N
XLogP2.02
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-1-[[(2S)-2,6-diaminohexanoyl]amino]-2-phenylethyl]boronic acid
CID 74765795
(2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide;dihydrochloride
CID 76973395
2,5-diaminopentanoic acid;2,5-diamino-N-(1-phenylpropan-2-yl)pentanamide;1-phenylpropan-2-amine
CID 159256589
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-3-phenylpropanoic acid
CID 145456719
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenylpropanoyl]amino]hexanoic acid
CID 9209271
(2R)-2,6-diamino-N-[(2S)-1,1,1-trideuterio-3-phenylpropan-2-yl]hexanamide
CID 131709054
benzyl N-(2,5-diaminopentanoyl)carbamate
CID 67793567
(2S)-2,6-diamino-N-(1-phenylpropan-2-yl)hexanamide;methanesulfonic acid
CID 169442795
4-[[3-carboxy-1-[(1-carboxy-2-phenylethyl)amino]-1-oxopropan-2-yl]amino]-3-(2,6-diaminohexanoylamino)-4-oxobutanoic acid
CID 18303575
(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoic acid
CID 145456751
(2S)-2-amino-N-[(3S)-5,8-diamino-2-methyl-4-oxooctan-3-yl]-3-phenylpropanamide;dihydrochloride
CID 67941864
benzyl 6-amino-2-(2,6-diaminohexanoylamino)hexanoate
CID 57051472

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide?
The IUPAC name of (2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide (CID 155539641) is (2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide.
What is the SMILES notation for (2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide?
The canonical SMILES for (2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide is NCCC[C@H](N)C(=O)NC(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide?
The InChIKey is VRFFBMAZBSWKSU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H27N3O/c21-13-7-12-19(22)20(24)23-18(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15,21-22H2,(H,23,24)/t19-/m0/s1.
What are the key properties of (2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide?
(2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide has a molecular weight of 325.46 g/mol, XLogP of 2.02, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide is sourced from PubChem (CID 155539641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).