4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(3-propan-2-yloxyphenyl)pentanoic acid

C19H29NO5 — CID 113236070

IUPAC4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(3-propan-2-yloxyphenyl)pentanoic acid
SMILESCC(C)Oc1cccc(CC(CCC(=O)O)NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C19H29NO5/c1-13(2)24-16-8-6-7-14(12-16)11-15(9-10-17(21)22)20-18(23)25-19(3,4)5/h6-8,12-13,15H,9-11H2,1-5H3,(H,20,23)(H,21,22)
InChIKeyHQQCKABRCXBSON-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.77
Rot. Bonds8

About 4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(3-propan-2-yloxyphenyl)pentanoic acid

4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(3-propan-2-yloxyphenyl)pentanoic acid (PubChem CID 113236070) has the molecular formula C19H29NO5 and a molecular weight of 351.44 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(3-propan-2-yloxyphenyl)pentanoic acid.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(3-propan-2-yloxyphenyl)pentanoic acid
PubChem CID113236070
Molecular FormulaC19H29NO5
Molecular Weight351.44 g/mol
Exact Mass351.20
IUPAC Name4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(3-propan-2-yloxyphenyl)pentanoic acid
SMILESCC(C)Oc1cccc(CC(CCC(=O)O)NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C19H29NO5/c1-13(2)24-16-8-6-7-14(12-16)11-15(9-10-17(21)22)20-18(23)25-19(3,4)5/h6-8,12-13,15H,9-11H2,1-5H3,(H,20,23)(H,21,22)
InChIKeyHQQCKABRCXBSON-UHFFFAOYSA-N
XLogP3.77
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-5-phenylpentanoic acid
CID 122210174
5-(3,4-diethoxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 121301602
tert-butyl N-(5-amino-5-oxo-1-phenylpentan-2-yl)carbamate
CID 175023120
tert-butyl N-[1-amino-3-(3-methoxyphenyl)propan-2-yl]carbamate
CID 84730445
5-[4-(benzenesulfonyloxy)phenyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 91405478
(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypentanoic acid
CID 102427058
(3S)-4-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 2761567
3-(3-butan-2-yloxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 54846455
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-naphthalen-2-ylbutanoic acid
CID 7021578
[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate
CID 10860245
tert-butyl N-(1,6-diphenylhexan-2-yl)carbamate
CID 57094161

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(3-propan-2-yloxyphenyl)pentanoic acid?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(3-propan-2-yloxyphenyl)pentanoic acid (CID 113236070) is 4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(3-propan-2-yloxyphenyl)pentanoic acid.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(3-propan-2-yloxyphenyl)pentanoic acid?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(3-propan-2-yloxyphenyl)pentanoic acid is CC(C)Oc1cccc(CC(CCC(=O)O)NC(=O)OC(C)(C)C)c1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(3-propan-2-yloxyphenyl)pentanoic acid?
The InChIKey is HQQCKABRCXBSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO5/c1-13(2)24-16-8-6-7-14(12-16)11-15(9-10-17(21)22)20-18(23)25-19(3,4)5/h6-8,12-13,15H,9-11H2,1-5H3,(H,20,23)(H,21,22).
What are the key properties of 4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(3-propan-2-yloxyphenyl)pentanoic acid?
4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(3-propan-2-yloxyphenyl)pentanoic acid has a molecular weight of 351.44 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(3-propan-2-yloxyphenyl)pentanoic acid is sourced from PubChem (CID 113236070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).