(2S)-5-amino-2-(3-methylbutylamino)-N-(3-phenylpropyl)pentanamide

C19H33N3O — CID 20662234

IUPAC(2S)-5-amino-2-(3-methylbutylamino)-N-(3-phenylpropyl)pentanamide
SMILESCC(C)CCN[C@@H](CCCN)C(=O)NCCCc1ccccc1
InChIInChI=1S/C19H33N3O/c1-16(2)12-15-21-18(11-6-13-20)19(23)22-14-7-10-17-8-4-3-5-9-17/h3-5,8-9,16,18,21H,6-7,10-15,20H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyUMQOCYDRDXPLAF-SFHVURJKSA-N
MW319.49 g/mol
LogP2.48
Rot. Bonds12

About (2S)-5-amino-2-(3-methylbutylamino)-N-(3-phenylpropyl)pentanamide

(2S)-5-amino-2-(3-methylbutylamino)-N-(3-phenylpropyl)pentanamide (PubChem CID 20662234) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is (2S)-5-amino-2-(3-methylbutylamino)-N-(3-phenylpropyl)pentanamide.

Molecular Properties

Compound Name(2S)-5-amino-2-(3-methylbutylamino)-N-(3-phenylpropyl)pentanamide
PubChem CID20662234
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC Name(2S)-5-amino-2-(3-methylbutylamino)-N-(3-phenylpropyl)pentanamide
SMILESCC(C)CCN[C@@H](CCCN)C(=O)NCCCc1ccccc1
InChIInChI=1S/C19H33N3O/c1-16(2)12-15-21-18(11-6-13-20)19(23)22-14-7-10-17-8-4-3-5-9-17/h3-5,8-9,16,18,21H,6-7,10-15,20H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyUMQOCYDRDXPLAF-SFHVURJKSA-N
XLogP2.48
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2-aminoacetyl)amino]-5-(3-methylbutylamino)-N-(3-phenylpropyl)pentanamide
CID 67564964
N'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide
CID 108951176
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride
CID 70408513
(2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide
CID 94187133
(2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide
CID 22691113
(2S)-6-amino-2-(benzylamino)-N-decylhexanamide
CID 134231394
(2R)-2-(5-aminopentylamino)-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-phenylbutanamide
CID 175129810
(2R)-2-[[(2R)-5-amino-2-[[(2R)-2-amino-4-methylpentanoyl]amino]pentanoyl]amino]-6-[[(2R)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]hexanoic acid
CID 166830182
N-(3-phenylpropyl)-2-sulfanylpropanamide
CID 107023594
5-amino-2-methyl-N-phenylmethoxypentanamide
CID 104685201
(2S)-6-amino-2-[[(1R)-1-carboxy-3-phenylpropyl]amino]hexanoic acid
CID 71314526

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-(3-methylbutylamino)-N-(3-phenylpropyl)pentanamide?
The IUPAC name of (2S)-5-amino-2-(3-methylbutylamino)-N-(3-phenylpropyl)pentanamide (CID 20662234) is (2S)-5-amino-2-(3-methylbutylamino)-N-(3-phenylpropyl)pentanamide.
What is the SMILES notation for (2S)-5-amino-2-(3-methylbutylamino)-N-(3-phenylpropyl)pentanamide?
The canonical SMILES for (2S)-5-amino-2-(3-methylbutylamino)-N-(3-phenylpropyl)pentanamide is CC(C)CCN[C@@H](CCCN)C(=O)NCCCc1ccccc1.
What is the InChIKey of (2S)-5-amino-2-(3-methylbutylamino)-N-(3-phenylpropyl)pentanamide?
The InChIKey is UMQOCYDRDXPLAF-SFHVURJKSA-N. The full InChI is InChI=1S/C19H33N3O/c1-16(2)12-15-21-18(11-6-13-20)19(23)22-14-7-10-17-8-4-3-5-9-17/h3-5,8-9,16,18,21H,6-7,10-15,20H2,1-2H3,(H,22,23)/t18-/m0/s1.
What are the key properties of (2S)-5-amino-2-(3-methylbutylamino)-N-(3-phenylpropyl)pentanamide?
(2S)-5-amino-2-(3-methylbutylamino)-N-(3-phenylpropyl)pentanamide has a molecular weight of 319.49 g/mol, XLogP of 2.48, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-(3-methylbutylamino)-N-(3-phenylpropyl)pentanamide is sourced from PubChem (CID 20662234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).