(2R)-2-[[(2R)-2-hydroxypropyl]carbamoylamino]-4-methylpentanoic acid

C10H20N2O4 — CID 7640764

IUPAC(2R)-2-[[(2R)-2-hydroxypropyl]carbamoylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)NC[C@@H](C)O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-6(2)4-8(9(14)15)12-10(16)11-5-7(3)13/h6-8,13H,4-5H2,1-3H3,(H,14,15)(H2,11,12,16)/t7-,8-/m1/s1
InChIKeyROSXGUPGQFTXSC-HTQZYQBOSA-N
MW232.28 g/mol
LogP0.17
Rot. Bonds6

About (2R)-2-[[(2R)-2-hydroxypropyl]carbamoylamino]-4-methylpentanoic acid

(2R)-2-[[(2R)-2-hydroxypropyl]carbamoylamino]-4-methylpentanoic acid (PubChem CID 7640764) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-hydroxypropyl]carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-hydroxypropyl]carbamoylamino]-4-methylpentanoic acid
PubChem CID7640764
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(2R)-2-[[(2R)-2-hydroxypropyl]carbamoylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)NC[C@@H](C)O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-6(2)4-8(9(14)15)12-10(16)11-5-7(3)13/h6-8,13H,4-5H2,1-3H3,(H,14,15)(H2,11,12,16)/t7-,8-/m1/s1
InChIKeyROSXGUPGQFTXSC-HTQZYQBOSA-N
XLogP0.17
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-methyl-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pentanoic acid
CID 102907074
4-methyl-2-(2-methylpentylcarbamoylamino)pentanoic acid
CID 55055578
(2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid
CID 30070504
4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid
CID 5203078
(2R)-4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid
CID 104591974
4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid
CID 103994328
(2S)-4-methyl-2-(4-methylpentylcarbamoylamino)pentanoic acid
CID 63003592
(2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 61183372
2-[(2-methoxy-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 61183537
2-hydroxy-3-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoylamino]propanoic acid
CID 66164909
(2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid
CID 61183008
(2S)-2-(3-aminopropylcarbamoylamino)-4-methylpentanoic acid
CID 62273310

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-hydroxypropyl]carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[(2R)-2-hydroxypropyl]carbamoylamino]-4-methylpentanoic acid (CID 7640764) is (2R)-2-[[(2R)-2-hydroxypropyl]carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[(2R)-2-hydroxypropyl]carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[(2R)-2-hydroxypropyl]carbamoylamino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)NC[C@@H](C)O)C(=O)O.
What is the InChIKey of (2R)-2-[[(2R)-2-hydroxypropyl]carbamoylamino]-4-methylpentanoic acid?
The InChIKey is ROSXGUPGQFTXSC-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-6(2)4-8(9(14)15)12-10(16)11-5-7(3)13/h6-8,13H,4-5H2,1-3H3,(H,14,15)(H2,11,12,16)/t7-,8-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-hydroxypropyl]carbamoylamino]-4-methylpentanoic acid?
(2R)-2-[[(2R)-2-hydroxypropyl]carbamoylamino]-4-methylpentanoic acid has a molecular weight of 232.28 g/mol, XLogP of 0.17, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-hydroxypropyl]carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 7640764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).