5-(methoxycarbonylamino)-4-methylpentanoic acid

C8H15NO4 — CID 82017023

IUPAC5-(methoxycarbonylamino)-4-methylpentanoic acid
SMILESCOC(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C8H15NO4/c1-6(3-4-7(10)11)5-9-8(12)13-2/h6H,3-5H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyQEURXDHFYKZWDN-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.84
Rot. Bonds5

About 5-(methoxycarbonylamino)-4-methylpentanoic acid

5-(methoxycarbonylamino)-4-methylpentanoic acid (PubChem CID 82017023) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 5-(methoxycarbonylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name5-(methoxycarbonylamino)-4-methylpentanoic acid
PubChem CID82017023
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name5-(methoxycarbonylamino)-4-methylpentanoic acid
SMILESCOC(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C8H15NO4/c1-6(3-4-7(10)11)5-9-8(12)13-2/h6H,3-5H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyQEURXDHFYKZWDN-UHFFFAOYSA-N
XLogP0.84
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(4-hydroxy-2-methylbutyl)carbamate
CID 66107566
5-[(2,2-difluoroacetyl)amino]-4-methylpentanoic acid
CID 103513451
5-(2-ethylbutanoylamino)-4-methylpentanoic acid
CID 82010608
5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid
CID 82689051
methyl N-(3-methoxy-2-methylpropyl)carbamate
CID 115593989
5-(diethylcarbamoylamino)-4-methylpentanoic acid
CID 82684112
5-(cyclopropanecarbonylamino)-4-methylpentanoic acid
CID 82010371
5-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 82688347
4-methyl-5-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid
CID 82688255
5-(benzylcarbamoylamino)-4-methylpentanoic acid
CID 82689403
5-[(3-amino-2,2-dimethylpropanoyl)amino]-4-methylpentanoic acid
CID 82688450
4-methyl-5-[[3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid
CID 82014412

Frequently Asked Questions

What is the IUPAC name of 5-(methoxycarbonylamino)-4-methylpentanoic acid?
The IUPAC name of 5-(methoxycarbonylamino)-4-methylpentanoic acid (CID 82017023) is 5-(methoxycarbonylamino)-4-methylpentanoic acid.
What is the SMILES notation for 5-(methoxycarbonylamino)-4-methylpentanoic acid?
The canonical SMILES for 5-(methoxycarbonylamino)-4-methylpentanoic acid is COC(=O)NCC(C)CCC(=O)O.
What is the InChIKey of 5-(methoxycarbonylamino)-4-methylpentanoic acid?
The InChIKey is QEURXDHFYKZWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-6(3-4-7(10)11)5-9-8(12)13-2/h6H,3-5H2,1-2H3,(H,9,12)(H,10,11).
What are the key properties of 5-(methoxycarbonylamino)-4-methylpentanoic acid?
5-(methoxycarbonylamino)-4-methylpentanoic acid has a molecular weight of 189.21 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxycarbonylamino)-4-methylpentanoic acid is sourced from PubChem (CID 82017023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).