4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid

C12H24N2O3 — CID 5203078

IUPAC4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid
SMILESCC(C)CCNC(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-8(2)5-6-13-12(17)14-10(11(15)16)7-9(3)4/h8-10H,5-7H2,1-4H3,(H,15,16)(H2,13,14,17)
InChIKeyYQDNPZAHQZOYHQ-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.83
Rot. Bonds7

About 4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid

4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid (PubChem CID 5203078) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid
PubChem CID5203078
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid
SMILESCC(C)CCNC(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-8(2)5-6-13-12(17)14-10(11(15)16)7-9(3)4/h8-10H,5-7H2,1-4H3,(H,15,16)(H2,13,14,17)
InChIKeyYQDNPZAHQZOYHQ-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-methyl-2-(4-methylpentylcarbamoylamino)pentanoic acid
CID 63003592
4-methyl-2-(5-methylhexylcarbamoylamino)pentanoic acid
CID 115326694
(2S)-3-hydroxy-2-(3-methylbutylcarbamoylamino)propanoic acid
CID 61185829
(2S)-2-(3-aminopropylcarbamoylamino)-4-methylpentanoic acid
CID 62273310
2-[(2-methoxy-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 61183537
(2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 61183372
(2S)-4-methyl-2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]pentanoic acid
CID 61202686
2-[2-(methanesulfonamido)ethylcarbamoylamino]-4-methylpentanoic acid
CID 61201865
(2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid
CID 30070504
(2R)-2-[[(2R)-2-hydroxypropyl]carbamoylamino]-4-methylpentanoic acid
CID 7640764
(2S)-4-methyl-2-[(4-methyl-3-oxopent-4-enyl)carbamoylamino]pentanoic acid
CID 139803184
(2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid
CID 62635321

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid?
The IUPAC name of 4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid (CID 5203078) is 4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid?
The canonical SMILES for 4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid is CC(C)CCNC(=O)NC(CC(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid?
The InChIKey is YQDNPZAHQZOYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(2)5-6-13-12(17)14-10(11(15)16)7-9(3)4/h8-10H,5-7H2,1-4H3,(H,15,16)(H2,13,14,17).
What are the key properties of 4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid?
4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 5203078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).