(2S)-2-amino-5-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]-5-oxopentanoic acid

C17H22N2O3 — CID 134704642

IUPAC(2S)-2-amino-5-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)N(C/C=C/c1ccccc1)C1CC1)C(=O)O
InChIInChI=1S/C17H22N2O3/c18-15(17(21)22)10-11-16(20)19(14-8-9-14)12-4-7-13-5-2-1-3-6-13/h1-7,14-15H,8-12,18H2,(H,21,22)/b7-4+/t15-/m0/s1
InChIKeyAICMLBVELZEKFD-SZTZYQKNSA-N
MW302.37 g/mol
LogP1.88
Rot. Bonds8

About (2S)-2-amino-5-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]-5-oxopentanoic acid

(2S)-2-amino-5-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]-5-oxopentanoic acid (PubChem CID 134704642) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (2S)-2-amino-5-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]-5-oxopentanoic acid
PubChem CID134704642
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(2S)-2-amino-5-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)N(C/C=C/c1ccccc1)C1CC1)C(=O)O
InChIInChI=1S/C17H22N2O3/c18-15(17(21)22)10-11-16(20)19(14-8-9-14)12-4-7-13-5-2-1-3-6-13/h1-7,14-15H,8-12,18H2,(H,21,22)/b7-4+/t15-/m0/s1
InChIKeyAICMLBVELZEKFD-SZTZYQKNSA-N
XLogP1.88
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]propanoic acid
CID 60839035
2-amino-5-(dibenzylamino)-5-oxopentanoic acid
CID 69304908
1-cyclopropyl-3-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1-[(E)-3-phenylprop-2-enyl]urea
CID 125448033
N-(5-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(3-phenylprop-2-enyl)propanamide
CID 54147834
1-[(3S)-1,1-dioxothiolan-3-yl]-3-phenyl-1-[(E)-3-phenylprop-2-enyl]urea
CID 42387355
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 91841784
2-[2,2-diaminoethyl(3-phenylprop-2-enyl)amino]acetic acid
CID 141076521
(3R)-N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide
CID 95553467
[5-[[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]methyl]furan-2-yl]methanol
CID 131908508
2-[cyclopropylmethyl-[(E)-3-phenylprop-2-enyl]amino]acetic acid
CID 43656590
(2S)-2-amino-5-[benzyl(methyl)amino]-5-oxopentanoic acid;hydrochloride
CID 166748454
N-cyclopropyl-2-oxo-N-(3-phenylprop-2-enyl)-1-oxaspiro[4.5]decane-4-carboxamide
CID 171139697

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]-5-oxopentanoic acid (CID 134704642) is (2S)-2-amino-5-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]-5-oxopentanoic acid is N[C@@H](CCC(=O)N(C/C=C/c1ccccc1)C1CC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]-5-oxopentanoic acid?
The InChIKey is AICMLBVELZEKFD-SZTZYQKNSA-N. The full InChI is InChI=1S/C17H22N2O3/c18-15(17(21)22)10-11-16(20)19(14-8-9-14)12-4-7-13-5-2-1-3-6-13/h1-7,14-15H,8-12,18H2,(H,21,22)/b7-4+/t15-/m0/s1.
What are the key properties of (2S)-2-amino-5-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]-5-oxopentanoic acid?
(2S)-2-amino-5-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]-5-oxopentanoic acid has a molecular weight of 302.37 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 134704642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).