(2S,3S)-3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic acid

C11H22N2O3 — CID 40607627

IUPAC(2S,3S)-3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)NCC(C)C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-8(4)9(10(14)15)13-11(16)12-6-7(2)3/h7-9H,5-6H2,1-4H3,(H,14,15)(H2,12,13,16)/t8-,9-/m0/s1
InChIKeyTYDFZSIYTRNVEN-IUCAKERBSA-N
MW230.31 g/mol
LogP1.44
Rot. Bonds6

About (2S,3S)-3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic acid

(2S,3S)-3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic acid (PubChem CID 40607627) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic acid
PubChem CID40607627
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(2S,3S)-3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)NCC(C)C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-8(4)9(10(14)15)13-11(16)12-6-7(2)3/h7-9H,5-6H2,1-4H3,(H,14,15)(H2,12,13,16)/t8-,9-/m0/s1
InChIKeyTYDFZSIYTRNVEN-IUCAKERBSA-N
XLogP1.44
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S,3S)-3-methyl-2-(2-methylpropylcarbamoylamino)pentanoate
CID 97038427
(2S,3S)-3-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid
CID 40654470
(2S)-3-methyl-2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]pentanoic acid
CID 63960300
(2S,3S)-2-(2-cyclopropylpropylcarbamoylamino)-3-methylpentanoic acid
CID 103997545
(2S,3S)-2-(butan-2-ylcarbamoylamino)-3-methylpentanoic acid
CID 61188822
(2S,3S)-3-methyl-2-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid
CID 54955257
2-(carboxyamino)-3-methylpentanoic acid
CID 19101858
(2S)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3-methylpentanoic acid
CID 83112549
3-methyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]pentanoic acid
CID 61197618
3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]pentanoic acid
CID 61201554
(2S)-2-(cyclopropylmethylcarbamoylamino)-3-methylpentanoic acid
CID 61180924
(2S,3S)-3-methyl-2-[2-(2-methylpropoxy)ethylcarbamoylamino]pentanoic acid
CID 113363354

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic acid (CID 40607627) is (2S,3S)-3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic acid is CC[C@H](C)[C@H](NC(=O)NCC(C)C)C(=O)O.
What is the InChIKey of (2S,3S)-3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic acid?
The InChIKey is TYDFZSIYTRNVEN-IUCAKERBSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-8(4)9(10(14)15)13-11(16)12-6-7(2)3/h7-9H,5-6H2,1-4H3,(H,14,15)(H2,12,13,16)/t8-,9-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic acid?
(2S,3S)-3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 40607627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).