3-methyl-2-(pentan-2-ylcarbamoylamino)pentanoic acid

C12H24N2O3 — CID 61183090

IUPAC3-methyl-2-(pentan-2-ylcarbamoylamino)pentanoic acid
SMILESCCCC(C)NC(=O)NC(C(=O)O)C(C)CC
InChIInChI=1S/C12H24N2O3/c1-5-7-9(4)13-12(17)14-10(11(15)16)8(3)6-2/h8-10H,5-7H2,1-4H3,(H,15,16)(H2,13,14,17)
InChIKeySEMAMHDCAIPUKR-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.97
Rot. Bonds7

About 3-methyl-2-(pentan-2-ylcarbamoylamino)pentanoic acid

3-methyl-2-(pentan-2-ylcarbamoylamino)pentanoic acid (PubChem CID 61183090) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-methyl-2-(pentan-2-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-(pentan-2-ylcarbamoylamino)pentanoic acid
PubChem CID61183090
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-methyl-2-(pentan-2-ylcarbamoylamino)pentanoic acid
SMILESCCCC(C)NC(=O)NC(C(=O)O)C(C)CC
InChIInChI=1S/C12H24N2O3/c1-5-7-9(4)13-12(17)14-10(11(15)16)8(3)6-2/h8-10H,5-7H2,1-4H3,(H,15,16)(H2,13,14,17)
InChIKeySEMAMHDCAIPUKR-UHFFFAOYSA-N
XLogP1.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-(butan-2-ylcarbamoylamino)-3-methylpentanoic acid
CID 61188822
3-methyl-2-(octan-2-ylcarbamoylamino)pentanoic acid
CID 61479062
(2S)-3-methyl-2-(octan-2-ylcarbamoylamino)pentanoic acid
CID 61479063
(2S,3S)-3-methyl-2-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid
CID 54955257
2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-3-methylpentanoic acid
CID 61498748
(2S)-2-(3-ethylpentan-2-ylcarbamoylamino)-3-methylpentanoic acid
CID 63844080
(2S,3S)-3-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid
CID 40654470
(2S)-3-methyl-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid
CID 61475973
2-(carboxyamino)-3-methylpentanoic acid
CID 19101858
(2S,3S)-3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic acid
CID 40607627
2-(but-3-yn-2-ylcarbamoylamino)-3-methylpentanoic acid
CID 114418650
(2S)-2-(but-3-en-2-ylcarbamoylamino)-3-methylpentanoic acid
CID 104864756

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(pentan-2-ylcarbamoylamino)pentanoic acid?
The IUPAC name of 3-methyl-2-(pentan-2-ylcarbamoylamino)pentanoic acid (CID 61183090) is 3-methyl-2-(pentan-2-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 3-methyl-2-(pentan-2-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for 3-methyl-2-(pentan-2-ylcarbamoylamino)pentanoic acid is CCCC(C)NC(=O)NC(C(=O)O)C(C)CC.
What is the InChIKey of 3-methyl-2-(pentan-2-ylcarbamoylamino)pentanoic acid?
The InChIKey is SEMAMHDCAIPUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-7-9(4)13-12(17)14-10(11(15)16)8(3)6-2/h8-10H,5-7H2,1-4H3,(H,15,16)(H2,13,14,17).
What are the key properties of 3-methyl-2-(pentan-2-ylcarbamoylamino)pentanoic acid?
3-methyl-2-(pentan-2-ylcarbamoylamino)pentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(pentan-2-ylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 61183090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).