4-[[2-(cyclopropylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid

C17H24N2O4 — CID 122085443

IUPAC4-[[2-(cyclopropylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1ccccc1OCC1CC1
InChIInChI=1S/C17H24N2O4/c1-17(2,10-9-15(20)21)19-16(22)18-13-5-3-4-6-14(13)23-11-12-7-8-12/h3-6,12H,7-11H2,1-2H3,(H,20,21)(H2,18,19,22)
InChIKeyMWDNCKFTDBGBAS-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.24
Rot. Bonds8

About 4-[[2-(cyclopropylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid

4-[[2-(cyclopropylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid (PubChem CID 122085443) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[[2-(cyclopropylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[2-(cyclopropylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid
PubChem CID122085443
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name4-[[2-(cyclopropylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1ccccc1OCC1CC1
InChIInChI=1S/C17H24N2O4/c1-17(2,10-9-15(20)21)19-16(22)18-13-5-3-4-6-14(13)23-11-12-7-8-12/h3-6,12H,7-11H2,1-2H3,(H,20,21)(H2,18,19,22)
InChIKeyMWDNCKFTDBGBAS-UHFFFAOYSA-N
XLogP3.24
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-4-[[2-(oxan-2-ylmethoxy)phenyl]carbamoylamino]pentanoic acid
CID 122077814
4-[(2-butoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122077360
4-[2-(tert-butylcarbamoylamino)phenoxy]butanoic acid
CID 89492843
N-[2-(cyclopropylmethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119799501
N-[2-(cyclopropylmethoxy)phenyl]-2-(dimethylamino)acetamide
CID 91661447
N-[2-(cyclopropylmethoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119799491
1-[2-(cyclopropylmethoxy)phenyl]-3-(1-hydroxypentan-3-yl)urea
CID 111453706
3-[[2-(difluoromethoxy)phenyl]carbamoylamino]-3-methylbutanoic acid
CID 64701229
N-[2-(cyclopropylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119332686
2-[2-(piperidin-4-ylcarbamoylamino)phenoxy]acetic acid
CID 63746907
1-(1-hydroxy-2-methylpropan-2-yl)-3-[2-(2-methylpropoxy)phenyl]urea
CID 110901135
2-[2-(cyclobutylmethylcarbamoylamino)phenoxy]acetic acid
CID 63746736

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclopropylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[[2-(cyclopropylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid (CID 122085443) is 4-[[2-(cyclopropylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[2-(cyclopropylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[2-(cyclopropylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)Nc1ccccc1OCC1CC1.
What is the InChIKey of 4-[[2-(cyclopropylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid?
The InChIKey is MWDNCKFTDBGBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-17(2,10-9-15(20)21)19-16(22)18-13-5-3-4-6-14(13)23-11-12-7-8-12/h3-6,12H,7-11H2,1-2H3,(H,20,21)(H2,18,19,22).
What are the key properties of 4-[[2-(cyclopropylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid?
4-[[2-(cyclopropylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid has a molecular weight of 320.39 g/mol, XLogP of 3.24, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclopropylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 122085443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).