2-[[1-(4-chlorophenyl)cyclobutyl]-(3-methylbutyl)amino]butanoic acid

C19H28ClNO2 — CID 68987388

IUPAC2-[[1-(4-chlorophenyl)cyclobutyl]-(3-methylbutyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(CCC(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C19H28ClNO2/c1-4-17(18(22)23)21(13-10-14(2)3)19(11-5-12-19)15-6-8-16(20)9-7-15/h6-9,14,17H,4-5,10-13H2,1-3H3,(H,22,23)
InChIKeyLHGRMVNFJRSINT-UHFFFAOYSA-N
MW337.89 g/mol
LogP4.93
Rot. Bonds8

About 2-[[1-(4-chlorophenyl)cyclobutyl]-(3-methylbutyl)amino]butanoic acid

2-[[1-(4-chlorophenyl)cyclobutyl]-(3-methylbutyl)amino]butanoic acid (PubChem CID 68987388) has the molecular formula C19H28ClNO2 and a molecular weight of 337.89 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)cyclobutyl]-(3-methylbutyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)cyclobutyl]-(3-methylbutyl)amino]butanoic acid
PubChem CID68987388
Molecular FormulaC19H28ClNO2
Molecular Weight337.89 g/mol
Exact Mass337.18
IUPAC Name2-[[1-(4-chlorophenyl)cyclobutyl]-(3-methylbutyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(CCC(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C19H28ClNO2/c1-4-17(18(22)23)21(13-10-14(2)3)19(11-5-12-19)15-6-8-16(20)9-7-15/h6-9,14,17H,4-5,10-13H2,1-3H3,(H,22,23)
InChIKeyLHGRMVNFJRSINT-UHFFFAOYSA-N
XLogP4.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.89
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Chlorophenyl)-2-(dimethylamino)acetic acid
CID 242172
2-[[1-[1-(4-Chlorophenyl)cyclobutyl]-3-methylbutyl]amino]butanoate
CID 124221568
(2S)-2-{[(4-chlorophenyl)methyl]amino}propanoic acid
CID 14259254
(2S)-2-[(3R)-4-[bis(4-chlorophenyl)methyl]-3-methylpiperazin-1-yl]propanoic acid
CID 25063688
2-{[(4-Chlorophenyl)methyl]amino}-3-methylbutanoic acid hydrochloride
CID 42935502
(2S)-2-[(5-chloro-2-fluorophenyl)methyl-methylamino]butanoic acid
CID 164633269
(2S)-2-[[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]amino]-4-methylpentanoic acid
CID 57970569
(2R)-2-[(2R)-4-[bis(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]propanoic acid
CID 25063691
2-{[(4-Chlorophenyl)methyl]amino}propanoic acid
CID 14259253
2-[(2-Chloro-4-fluorophenyl)methyl-ethylamino]-2-methylpropanoic acid
CID 55124048
2-[(4-Chloro-3-fluorophenyl)methylamino]-3-methylbutanoic acid
CID 61665339
2-[(4-Chloro-3-fluorophenyl)methylamino]-4-methylpentanoic acid
CID 61666048

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)cyclobutyl]-(3-methylbutyl)amino]butanoic acid?
The IUPAC name of 2-[[1-(4-chlorophenyl)cyclobutyl]-(3-methylbutyl)amino]butanoic acid (CID 68987388) is 2-[[1-(4-chlorophenyl)cyclobutyl]-(3-methylbutyl)amino]butanoic acid.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)cyclobutyl]-(3-methylbutyl)amino]butanoic acid?
The canonical SMILES for 2-[[1-(4-chlorophenyl)cyclobutyl]-(3-methylbutyl)amino]butanoic acid is CCC(C(=O)O)N(CCC(C)C)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 2-[[1-(4-chlorophenyl)cyclobutyl]-(3-methylbutyl)amino]butanoic acid?
The InChIKey is LHGRMVNFJRSINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClNO2/c1-4-17(18(22)23)21(13-10-14(2)3)19(11-5-12-19)15-6-8-16(20)9-7-15/h6-9,14,17H,4-5,10-13H2,1-3H3,(H,22,23).
What are the key properties of 2-[[1-(4-chlorophenyl)cyclobutyl]-(3-methylbutyl)amino]butanoic acid?
2-[[1-(4-chlorophenyl)cyclobutyl]-(3-methylbutyl)amino]butanoic acid has a molecular weight of 337.89 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)cyclobutyl]-(3-methylbutyl)amino]butanoic acid is sourced from PubChem (CID 68987388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).