(2S)-2-amino-N-[(2S)-2-(naphthalen-1-ylmethyl)pent-4-enyl]butanediamide

C20H25N3O2 — CID 11427767

IUPAC(2S)-2-amino-N-[(2S)-2-(naphthalen-1-ylmethyl)pent-4-enyl]butanediamide
SMILESC=CC[C@H](CNC(=O)[C@@H](N)CC(N)=O)Cc1cccc2ccccc12
InChIInChI=1S/C20H25N3O2/c1-2-6-14(13-23-20(25)18(21)12-19(22)24)11-16-9-5-8-15-7-3-4-10-17(15)16/h2-5,7-10,14,18H,1,6,11-13,21H2,(H2,22,24)(H,23,25)/t14-,18-/m0/s1
InChIKeyBHNONZMLUMLWEP-KSSFIOAISA-N
MW339.44 g/mol
LogP1.89
Rot. Bonds9

About (2S)-2-amino-N-[(2S)-2-(naphthalen-1-ylmethyl)pent-4-enyl]butanediamide

(2S)-2-amino-N-[(2S)-2-(naphthalen-1-ylmethyl)pent-4-enyl]butanediamide (PubChem CID 11427767) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-2-(naphthalen-1-ylmethyl)pent-4-enyl]butanediamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-2-(naphthalen-1-ylmethyl)pent-4-enyl]butanediamide
PubChem CID11427767
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(2S)-2-amino-N-[(2S)-2-(naphthalen-1-ylmethyl)pent-4-enyl]butanediamide
SMILESC=CC[C@H](CNC(=O)[C@@H](N)CC(N)=O)Cc1cccc2ccccc12
InChIInChI=1S/C20H25N3O2/c1-2-6-14(13-23-20(25)18(21)12-19(22)24)11-16-9-5-8-15-7-3-4-10-17(15)16/h2-5,7-10,14,18H,1,6,11-13,21H2,(H2,22,24)(H,23,25)/t14-,18-/m0/s1
InChIKeyBHNONZMLUMLWEP-KSSFIOAISA-N
XLogP1.89
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(1-aminocyclohexanecarbonyl)amino]-N-[(2S)-2-(naphthalen-1-ylmethyl)pent-4-enyl]butanediamide
CID 11363270
(2S)-2-[(1-methylcyclohexanecarbonyl)amino]-N-[(2S)-2-(naphthalen-1-ylmethyl)pent-4-enyl]butanediamide
CID 89243119
9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-4-amino-1-[[(2S)-2-(naphthalen-1-ylmethyl)pent-4-enyl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 10996003
(2S)-2-amino-N-[(2-hydroxyphenyl)methyl]butanediamide
CID 96913231
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238
(2R)-2-amino-3-naphthalen-1-yl-N-(2-phenylethyl)propanamide
CID 70832631
3-amino-4-naphthalen-1-ylbutan-2-one
CID 90132705
2-amino-4-methyl-N-(naphthalen-1-ylmethyl)pentanamide
CID 62368287
2-amino-N-[2-(benzylamino)-2-oxoethyl]butanediamide
CID 60971806
3-amino-4-naphthalen-1-ylbutanoic acid
CID 53395054
2-naphthalen-1-ylacetamide;prop-2-enoic acid
CID 174797435
carbonic acid;formaldehyde;1-prop-2-enylnaphthalene
CID 175360952

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-2-(naphthalen-1-ylmethyl)pent-4-enyl]butanediamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-2-(naphthalen-1-ylmethyl)pent-4-enyl]butanediamide (CID 11427767) is (2S)-2-amino-N-[(2S)-2-(naphthalen-1-ylmethyl)pent-4-enyl]butanediamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-2-(naphthalen-1-ylmethyl)pent-4-enyl]butanediamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-2-(naphthalen-1-ylmethyl)pent-4-enyl]butanediamide is C=CC[C@H](CNC(=O)[C@@H](N)CC(N)=O)Cc1cccc2ccccc12.
What is the InChIKey of (2S)-2-amino-N-[(2S)-2-(naphthalen-1-ylmethyl)pent-4-enyl]butanediamide?
The InChIKey is BHNONZMLUMLWEP-KSSFIOAISA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-6-14(13-23-20(25)18(21)12-19(22)24)11-16-9-5-8-15-7-3-4-10-17(15)16/h2-5,7-10,14,18H,1,6,11-13,21H2,(H2,22,24)(H,23,25)/t14-,18-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-2-(naphthalen-1-ylmethyl)pent-4-enyl]butanediamide?
(2S)-2-amino-N-[(2S)-2-(naphthalen-1-ylmethyl)pent-4-enyl]butanediamide has a molecular weight of 339.44 g/mol, XLogP of 1.89, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-2-(naphthalen-1-ylmethyl)pent-4-enyl]butanediamide is sourced from PubChem (CID 11427767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).