(2R)-4-methyl-2-(2-methylpropylcarbamoylamino)pentanoate

C11H21N2O3- — CID 7680380

IUPAC(2R)-4-methyl-2-(2-methylpropylcarbamoylamino)pentanoate
SMILESCC(C)CNC(=O)N[C@H](CC(C)C)C(=O)[O-]
InChIInChI=1S/C11H22N2O3/c1-7(2)5-9(10(14)15)13-11(16)12-6-8(3)4/h7-9H,5-6H2,1-4H3,(H,14,15)(H2,12,13,16)/p-1/t9-/m1/s1
InChIKeyMZMUKISMJUPIQP-SECBINFHSA-M
MW229.30 g/mol
LogP0.11
Rot. Bonds6

About (2R)-4-methyl-2-(2-methylpropylcarbamoylamino)pentanoate

(2R)-4-methyl-2-(2-methylpropylcarbamoylamino)pentanoate (PubChem CID 7680380) has the molecular formula C11H21N2O3- and a molecular weight of 229.30 g/mol. Its IUPAC name is (2R)-4-methyl-2-(2-methylpropylcarbamoylamino)pentanoate.

Molecular Properties

Compound Name(2R)-4-methyl-2-(2-methylpropylcarbamoylamino)pentanoate
PubChem CID7680380
Molecular FormulaC11H21N2O3-
Molecular Weight229.30 g/mol
Exact Mass229.16
IUPAC Name(2R)-4-methyl-2-(2-methylpropylcarbamoylamino)pentanoate
SMILESCC(C)CNC(=O)N[C@H](CC(C)C)C(=O)[O-]
InChIInChI=1S/C11H22N2O3/c1-7(2)5-9(10(14)15)13-11(16)12-6-8(3)4/h7-9H,5-6H2,1-4H3,(H,14,15)(H2,12,13,16)/p-1/t9-/m1/s1
InChIKeyMZMUKISMJUPIQP-SECBINFHSA-M
XLogP0.11
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(2R)-butan-2-yl]carbamoylamino]-4-methylpentanoate
CID 7529479
(2R)-2-[[(2R)-2-hydroxypropyl]carbamoylamino]-4-methylpentanoic acid
CID 7640764
(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoate
CID 6992389
(2S)-4-methyl-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pentanoic acid
CID 102907074
(2S)-2-(cyclopentylcarbamoylamino)-4-methylpentanoate
CID 6956773
2-(2-methylpropylcarbamoylamino)pentanoic acid
CID 16790600
4-methyl-2-(2-methylpentylcarbamoylamino)pentanoic acid
CID 55055578
(2S)-2-[(4-ethylphenyl)carbamoylamino]-4-methylpentanoate
CID 6956369
2-hydroxy-3-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoylamino]propanoic acid
CID 66164909
(2S)-2-[[(4S)-4-azaniumyl-4-carboxylatobutanoyl]amino]-4-methylpentanoate
CID 7009565
(2S)-2-[(2,3-dimethylphenyl)carbamoylamino]-4-methylpentanoate
CID 6956422
4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid
CID 5203078

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-(2-methylpropylcarbamoylamino)pentanoate?
The IUPAC name of (2R)-4-methyl-2-(2-methylpropylcarbamoylamino)pentanoate (CID 7680380) is (2R)-4-methyl-2-(2-methylpropylcarbamoylamino)pentanoate.
What is the SMILES notation for (2R)-4-methyl-2-(2-methylpropylcarbamoylamino)pentanoate?
The canonical SMILES for (2R)-4-methyl-2-(2-methylpropylcarbamoylamino)pentanoate is CC(C)CNC(=O)N[C@H](CC(C)C)C(=O)[O-].
What is the InChIKey of (2R)-4-methyl-2-(2-methylpropylcarbamoylamino)pentanoate?
The InChIKey is MZMUKISMJUPIQP-SECBINFHSA-M. The full InChI is InChI=1S/C11H22N2O3/c1-7(2)5-9(10(14)15)13-11(16)12-6-8(3)4/h7-9H,5-6H2,1-4H3,(H,14,15)(H2,12,13,16)/p-1/t9-/m1/s1.
What are the key properties of (2R)-4-methyl-2-(2-methylpropylcarbamoylamino)pentanoate?
(2R)-4-methyl-2-(2-methylpropylcarbamoylamino)pentanoate has a molecular weight of 229.30 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-(2-methylpropylcarbamoylamino)pentanoate is sourced from PubChem (CID 7680380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).