(2S)-2-[(2-amino-3-naphthalen-1-ylpropanoyl)amino]-3-methylpentanamide

C19H25N3O2 — CID 140518585

IUPAC(2S)-2-[(2-amino-3-naphthalen-1-ylpropanoyl)amino]-3-methylpentanamide
SMILESCCC(C)[C@H](NC(=O)C(N)Cc1cccc2ccccc12)C(N)=O
InChIInChI=1S/C19H25N3O2/c1-3-12(2)17(18(21)23)22-19(24)16(20)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12,16-17H,3,11,20H2,1-2H3,(H2,21,23)(H,22,24)/t12?,16?,17-/m0/s1
InChIKeyPDQYFFPEIOBCBD-SEFLRBGSSA-N
MW327.43 g/mol
LogP1.73
Rot. Bonds7

About (2S)-2-[(2-amino-3-naphthalen-1-ylpropanoyl)amino]-3-methylpentanamide

(2S)-2-[(2-amino-3-naphthalen-1-ylpropanoyl)amino]-3-methylpentanamide (PubChem CID 140518585) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2S)-2-[(2-amino-3-naphthalen-1-ylpropanoyl)amino]-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[(2-amino-3-naphthalen-1-ylpropanoyl)amino]-3-methylpentanamide
PubChem CID140518585
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(2S)-2-[(2-amino-3-naphthalen-1-ylpropanoyl)amino]-3-methylpentanamide
SMILESCCC(C)[C@H](NC(=O)C(N)Cc1cccc2ccccc12)C(N)=O
InChIInChI=1S/C19H25N3O2/c1-3-12(2)17(18(21)23)22-19(24)16(20)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12,16-17H,3,11,20H2,1-2H3,(H2,21,23)(H,22,24)/t12?,16?,17-/m0/s1
InChIKeyPDQYFFPEIOBCBD-SEFLRBGSSA-N
XLogP1.73
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238
[1-[(2-amino-3-naphthalen-1-ylpropanoyl)amino]-3-methylbutyl]boronic acid
CID 3745541
3-amino-4-naphthalen-1-ylbutan-2-one
CID 90132705
benzyl 2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoate
CID 174582730
[(2S)-2-[[(2R)-2-amino-3-naphthalen-1-ylpropanoyl]amino]-4-methylpentanoyl]boronic acid;hydrochloride
CID 54765253
(2S)-2-[[(2S)-2-amino-3-cyclohexylpropanoyl]amino]-N-[(2S,3R,4S)-3,4-dihydroxy-6-methyl-1-naphthalen-1-ylheptan-2-yl]-3-methylpentanamide
CID 10415244
2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide
CID 62368637
(3,5-dimethylphenyl)methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 10314783
2-[[(2S)-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]acetic acid
CID 67308701
2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoic acid
CID 19946029
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid
CID 145458513
2-[(2-hydroxy-2-phenylacetyl)amino]-3-methylpentanamide
CID 110879934

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-3-naphthalen-1-ylpropanoyl)amino]-3-methylpentanamide?
The IUPAC name of (2S)-2-[(2-amino-3-naphthalen-1-ylpropanoyl)amino]-3-methylpentanamide (CID 140518585) is (2S)-2-[(2-amino-3-naphthalen-1-ylpropanoyl)amino]-3-methylpentanamide.
What is the SMILES notation for (2S)-2-[(2-amino-3-naphthalen-1-ylpropanoyl)amino]-3-methylpentanamide?
The canonical SMILES for (2S)-2-[(2-amino-3-naphthalen-1-ylpropanoyl)amino]-3-methylpentanamide is CCC(C)[C@H](NC(=O)C(N)Cc1cccc2ccccc12)C(N)=O.
What is the InChIKey of (2S)-2-[(2-amino-3-naphthalen-1-ylpropanoyl)amino]-3-methylpentanamide?
The InChIKey is PDQYFFPEIOBCBD-SEFLRBGSSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-12(2)17(18(21)23)22-19(24)16(20)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12,16-17H,3,11,20H2,1-2H3,(H2,21,23)(H,22,24)/t12?,16?,17-/m0/s1.
What are the key properties of (2S)-2-[(2-amino-3-naphthalen-1-ylpropanoyl)amino]-3-methylpentanamide?
(2S)-2-[(2-amino-3-naphthalen-1-ylpropanoyl)amino]-3-methylpentanamide has a molecular weight of 327.43 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-amino-3-naphthalen-1-ylpropanoyl)amino]-3-methylpentanamide is sourced from PubChem (CID 140518585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).