(2S)-2-(1-methoxybutan-2-ylcarbamoylamino)pentanoic acid

C11H22N2O4 — CID 107567087

IUPAC(2S)-2-(1-methoxybutan-2-ylcarbamoylamino)pentanoic acid
SMILESCCC[C@H](NC(=O)NC(CC)COC)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-4-6-9(10(14)15)13-11(16)12-8(5-2)7-17-3/h8-9H,4-7H2,1-3H3,(H,14,15)(H2,12,13,16)/t8?,9-/m0/s1
InChIKeyNOTVABCDMHOFKX-GKAPJAKFSA-N
MW246.31 g/mol
LogP0.96
Rot. Bonds8

About (2S)-2-(1-methoxybutan-2-ylcarbamoylamino)pentanoic acid

(2S)-2-(1-methoxybutan-2-ylcarbamoylamino)pentanoic acid (PubChem CID 107567087) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2S)-2-(1-methoxybutan-2-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(1-methoxybutan-2-ylcarbamoylamino)pentanoic acid
PubChem CID107567087
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name(2S)-2-(1-methoxybutan-2-ylcarbamoylamino)pentanoic acid
SMILESCCC[C@H](NC(=O)NC(CC)COC)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-4-6-9(10(14)15)13-11(16)12-8(5-2)7-17-3/h8-9H,4-7H2,1-3H3,(H,14,15)(H2,12,13,16)/t8?,9-/m0/s1
InChIKeyNOTVABCDMHOFKX-GKAPJAKFSA-N
XLogP0.96
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-5-amino-2-(1-methoxybutan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 107830928
2-(hexan-3-ylcarbamoylamino)pentanedioic acid
CID 62119711
2-(hexan-3-ylcarbamoylamino)-3-hydroxypropanoic acid
CID 62117859
(2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid
CID 107565859
(2S)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]pentanoic acid
CID 107566492
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanoic acid
CID 106190511
(2R)-2-(hexan-3-ylcarbamoylamino)hexanedioic acid
CID 107839582
(2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid
CID 107566134
(2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107567522
(2R)-2-(2-methylpentan-3-ylcarbamoylamino)pentanoic acid
CID 107566471
(2S)-4-methoxy-4-oxo-2-(pentan-3-ylcarbamoylamino)butanoic acid
CID 63307314
2-(3-methoxypropanoylamino)pentanoic acid
CID 62589483

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-methoxybutan-2-ylcarbamoylamino)pentanoic acid?
The IUPAC name of (2S)-2-(1-methoxybutan-2-ylcarbamoylamino)pentanoic acid (CID 107567087) is (2S)-2-(1-methoxybutan-2-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-(1-methoxybutan-2-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2S)-2-(1-methoxybutan-2-ylcarbamoylamino)pentanoic acid is CCC[C@H](NC(=O)NC(CC)COC)C(=O)O.
What is the InChIKey of (2S)-2-(1-methoxybutan-2-ylcarbamoylamino)pentanoic acid?
The InChIKey is NOTVABCDMHOFKX-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-4-6-9(10(14)15)13-11(16)12-8(5-2)7-17-3/h8-9H,4-7H2,1-3H3,(H,14,15)(H2,12,13,16)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-(1-methoxybutan-2-ylcarbamoylamino)pentanoic acid?
(2S)-2-(1-methoxybutan-2-ylcarbamoylamino)pentanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.96, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-methoxybutan-2-ylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 107567087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).