(2S)-6-amino-2-(1-naphthalen-1-ylethylcarbamoylamino)hexanoic acid

C19H25N3O3 — CID 69228655

IUPAC(2S)-6-amino-2-(1-naphthalen-1-ylethylcarbamoylamino)hexanoic acid
SMILESCC(NC(=O)N[C@@H](CCCCN)C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C19H25N3O3/c1-13(15-10-6-8-14-7-2-3-9-16(14)15)21-19(25)22-17(18(23)24)11-4-5-12-20/h2-3,6-10,13,17H,4-5,11-12,20H2,1H3,(H,23,24)(H2,21,22,25)/t13?,17-/m0/s1
InChIKeyYRGQSYWKRCSPOM-RUINGEJQSA-N
MW343.43 g/mol
LogP2.78
Rot. Bonds8

About (2S)-6-amino-2-(1-naphthalen-1-ylethylcarbamoylamino)hexanoic acid

(2S)-6-amino-2-(1-naphthalen-1-ylethylcarbamoylamino)hexanoic acid (PubChem CID 69228655) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2S)-6-amino-2-(1-naphthalen-1-ylethylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-(1-naphthalen-1-ylethylcarbamoylamino)hexanoic acid
PubChem CID69228655
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(2S)-6-amino-2-(1-naphthalen-1-ylethylcarbamoylamino)hexanoic acid
SMILESCC(NC(=O)N[C@@H](CCCCN)C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C19H25N3O3/c1-13(15-10-6-8-14-7-2-3-9-16(14)15)21-19(25)22-17(18(23)24)11-4-5-12-20/h2-3,6-10,13,17H,4-5,11-12,20H2,1H3,(H,23,24)(H2,21,22,25)/t13?,17-/m0/s1
InChIKeyYRGQSYWKRCSPOM-RUINGEJQSA-N
XLogP2.78
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(1-naphthalen-1-ylethylamino)pentanamide
CID 174409746
6-amino-2-[(2-naphthalen-1-ylacetyl)amino]hexanoic acid
CID 154945512
(2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]pentanamide;hydrochloride
CID 142645953
(2R)-2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]-2-phenylacetic acid
CID 14671446
(2S)-3,3-dimethyl-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoylamino]butanoic acid
CID 69229055
(2R)-4-amino-2-[1-(2-fluorophenyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 107826890
(2S)-4-amino-2-[1-(2-fluorophenyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 63718664
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
(2S)-5-amino-2-(naphthalen-1-ylamino)pentanoic acid
CID 141020858
1-(aminomethyl)-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
CID 115453236
1-(4-aminobutyl)-1-[[4-[(benzylamino)methyl]phenyl]methyl]-3-(1-naphthalen-1-ylethyl)urea
CID 69188818
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(1-naphthalen-1-ylethylcarbamoylamino)hexanoic acid?
The IUPAC name of (2S)-6-amino-2-(1-naphthalen-1-ylethylcarbamoylamino)hexanoic acid (CID 69228655) is (2S)-6-amino-2-(1-naphthalen-1-ylethylcarbamoylamino)hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-(1-naphthalen-1-ylethylcarbamoylamino)hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-(1-naphthalen-1-ylethylcarbamoylamino)hexanoic acid is CC(NC(=O)N[C@@H](CCCCN)C(=O)O)c1cccc2ccccc12.
What is the InChIKey of (2S)-6-amino-2-(1-naphthalen-1-ylethylcarbamoylamino)hexanoic acid?
The InChIKey is YRGQSYWKRCSPOM-RUINGEJQSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(15-10-6-8-14-7-2-3-9-16(14)15)21-19(25)22-17(18(23)24)11-4-5-12-20/h2-3,6-10,13,17H,4-5,11-12,20H2,1H3,(H,23,24)(H2,21,22,25)/t13?,17-/m0/s1.
What are the key properties of (2S)-6-amino-2-(1-naphthalen-1-ylethylcarbamoylamino)hexanoic acid?
(2S)-6-amino-2-(1-naphthalen-1-ylethylcarbamoylamino)hexanoic acid has a molecular weight of 343.43 g/mol, XLogP of 2.78, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(1-naphthalen-1-ylethylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 69228655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).