2-[ethyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]amino]-2-methylpropanoic acid

C14H26N2O5 — CID 62822221

IUPAC2-[ethyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NC(CC(C)C)C(=O)OC)C(C)(C)C(=O)O
InChIInChI=1S/C14H26N2O5/c1-7-16(14(4,5)12(18)19)13(20)15-10(8-9(2)3)11(17)21-6/h9-10H,7-8H2,1-6H3,(H,15,20)(H,18,19)
InChIKeyYXZIDPSPMKBBAR-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.47
Rot. Bonds7

About 2-[ethyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]amino]-2-methylpropanoic acid

2-[ethyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62822221) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[ethyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID62822221
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name2-[ethyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NC(CC(C)C)C(=O)OC)C(C)(C)C(=O)O
InChIInChI=1S/C14H26N2O5/c1-7-16(14(4,5)12(18)19)13(20)15-10(8-9(2)3)11(17)21-6/h9-10H,7-8H2,1-6H3,(H,15,20)(H,18,19)
InChIKeyYXZIDPSPMKBBAR-UHFFFAOYSA-N
XLogP1.47
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 55123852
methyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 14036587
methyl 2-[[2,3-dihydroxypropyl(methyl)carbamoyl]amino]-4-methylpentanoate
CID 22910160
methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoate
CID 103954730
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62822020
methyl (2S)-2-(3,3-dimethylbutanoylamino)-4-methylpentanoate
CID 22872263
methyl 2-(3,3-dimethylbutanoylamino)-4-methylpentanoate
CID 19957218
methyl 4-methyl-2-(propan-2-yloxycarbonylamino)pentanoate
CID 14463277
5-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933194
methyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-4-methylpentanoate
CID 2166224
methyl 2-[(2-ethoxy-2-oxoacetyl)amino]-4-methylpentanoate
CID 2914892
methyl 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate
CID 112603567

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]amino]-2-methylpropanoic acid (CID 62822221) is 2-[ethyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]amino]-2-methylpropanoic acid is CCN(C(=O)NC(CC(C)C)C(=O)OC)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is YXZIDPSPMKBBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-7-16(14(4,5)12(18)19)13(20)15-10(8-9(2)3)11(17)21-6/h9-10H,7-8H2,1-6H3,(H,15,20)(H,18,19).
What are the key properties of 2-[ethyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
2-[ethyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 302.37 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62822221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).