(3S,4S)-4-methyl-1-[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid

C20H24N2O3 — CID 122120938

IUPAC(3S,4S)-4-methyl-1-[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCC(NC(=O)CN1C[C@@H](C)[C@H](C(=O)O)C1)c1ccc2ccccc2c1
InChIInChI=1S/C20H24N2O3/c1-13-10-22(11-18(13)20(24)25)12-19(23)21-14(2)16-8-7-15-5-3-4-6-17(15)9-16/h3-9,13-14,18H,10-12H2,1-2H3,(H,21,23)(H,24,25)/t13-,14?,18-/m1/s1
InChIKeyWEOYGBZNDPJPKM-VZGYSGOJSA-N
MW340.42 g/mol
LogP2.67
Rot. Bonds5

About (3S,4S)-4-methyl-1-[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid

(3S,4S)-4-methyl-1-[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid (PubChem CID 122120938) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (3S,4S)-4-methyl-1-[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-methyl-1-[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
PubChem CID122120938
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(3S,4S)-4-methyl-1-[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCC(NC(=O)CN1C[C@@H](C)[C@H](C(=O)O)C1)c1ccc2ccccc2c1
InChIInChI=1S/C20H24N2O3/c1-13-10-22(11-18(13)20(24)25)12-19(23)21-14(2)16-8-7-15-5-3-4-6-17(15)9-16/h3-9,13-14,18H,10-12H2,1-2H3,(H,21,23)(H,24,25)/t13-,14?,18-/m1/s1
InChIKeyWEOYGBZNDPJPKM-VZGYSGOJSA-N
XLogP2.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-naphthalen-2-ylethyl]-2-[4,7,10-tris[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 102115111
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide
CID 120760649
(3S,4S)-4-methyl-1-[1-(1-naphthalen-2-ylethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 122120862
2-[(2R)-2-methylmorpholin-4-yl]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 98449703
2-morpholin-4-yl-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 8903869
2-[4,7-bis[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 100946770
N-(1-naphthalen-2-ylethyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 46801213
2-(cyclopropylmethylamino)-N-(1-naphthalen-2-ylethyl)acetamide;hydrochloride
CID 119685956
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 17464666
N-[(1S)-1-naphthalen-2-ylethyl]-2-phenoxyacetamide
CID 7899710
2-(4-methoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 974464
3-methyl-N-(1-naphthalen-2-ylethyl)but-3-enamide
CID 145167026

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-1-[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-4-methyl-1-[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid (CID 122120938) is (3S,4S)-4-methyl-1-[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-methyl-1-[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-4-methyl-1-[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid is CC(NC(=O)CN1C[C@@H](C)[C@H](C(=O)O)C1)c1ccc2ccccc2c1.
What is the InChIKey of (3S,4S)-4-methyl-1-[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is WEOYGBZNDPJPKM-VZGYSGOJSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13-10-22(11-18(13)20(24)25)12-19(23)21-14(2)16-8-7-15-5-3-4-6-17(15)9-16/h3-9,13-14,18H,10-12H2,1-2H3,(H,21,23)(H,24,25)/t13-,14?,18-/m1/s1.
What are the key properties of (3S,4S)-4-methyl-1-[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
(3S,4S)-4-methyl-1-[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 340.42 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-1-[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122120938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).