5-amino-2-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-5-oxopentanoic acid

C22H27N3O4 — CID 84567246

IUPAC5-amino-2-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NC(=O)CCN(Cc1cccc2ccccc12)C1CC1)C(=O)O
InChIInChI=1S/C22H27N3O4/c23-20(26)11-10-19(22(28)29)24-21(27)12-13-25(17-8-9-17)14-16-6-3-5-15-4-1-2-7-18(15)16/h1-7,17,19H,8-14H2,(H2,23,26)(H,24,27)(H,28,29)
InChIKeyLWDQJNXJEZLRIO-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.03
Rot. Bonds11

About 5-amino-2-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-5-oxopentanoic acid

5-amino-2-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-5-oxopentanoic acid (PubChem CID 84567246) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 5-amino-2-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-5-oxopentanoic acid
PubChem CID84567246
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name5-amino-2-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NC(=O)CCN(Cc1cccc2ccccc12)C1CC1)C(=O)O
InChIInChI=1S/C22H27N3O4/c23-20(26)11-10-19(22(28)29)24-21(27)12-13-25(17-8-9-17)14-16-6-3-5-15-4-1-2-7-18(15)16/h1-7,17,19H,8-14H2,(H2,23,26)(H,24,27)(H,28,29)
InChIKeyLWDQJNXJEZLRIO-UHFFFAOYSA-N
XLogP2.03
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84567191
5-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-2-hydroxybenzoic acid
CID 84568655
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 84569102
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 84564973
N-benzyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-methylpropanamide
CID 84562999
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84568221
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one
CID 84562994
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide
CID 84567683
CID 68604008
CID 68604008
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide
CID 84567681
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 84565012
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-imidazol-1-ylpropyl)propanamide
CID 84567261

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-5-oxopentanoic acid (CID 84567246) is 5-amino-2-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-5-oxopentanoic acid is NC(=O)CCC(NC(=O)CCN(Cc1cccc2ccccc12)C1CC1)C(=O)O.
What is the InChIKey of 5-amino-2-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-5-oxopentanoic acid?
The InChIKey is LWDQJNXJEZLRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c23-20(26)11-10-19(22(28)29)24-21(27)12-13-25(17-8-9-17)14-16-6-3-5-15-4-1-2-7-18(15)16/h1-7,17,19H,8-14H2,(H2,23,26)(H,24,27)(H,28,29).
What are the key properties of 5-amino-2-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-5-oxopentanoic acid?
5-amino-2-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-5-oxopentanoic acid has a molecular weight of 397.48 g/mol, XLogP of 2.03, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 84567246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).