(2S)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]pentanoic acid

C12H22N2O4 — CID 107567425

IUPAC(2S)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)N(C)C1CCOC1C)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-4-5-9(11(15)16)13-12(17)14(3)10-6-7-18-8(10)2/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)/t8?,9-,10?/m0/s1
InChIKeyJQFLWEZJKVUGEL-KYHHOPLUSA-N
MW258.32 g/mol
LogP1.06
Rot. Bonds5

About (2S)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]pentanoic acid

(2S)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]pentanoic acid (PubChem CID 107567425) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2S)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]pentanoic acid
PubChem CID107567425
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name(2S)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)N(C)C1CCOC1C)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-4-5-9(11(15)16)13-12(17)14(3)10-6-7-18-8(10)2/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)/t8?,9-,10?/m0/s1
InChIKeyJQFLWEZJKVUGEL-KYHHOPLUSA-N
XLogP1.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]heptanoic acid
CID 82730588
(2R)-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pentanoic acid
CID 107566610
2-cyclopropyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]acetic acid
CID 82742663
(2R)-2-[[cyclopentyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566149
2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid
CID 61201099
4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)butanoic acid
CID 82743312
(2R)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]-2-phenylacetic acid
CID 82729817
2-acetamido-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82740401
2-cyano-N-methyl-N-(2-methyloxolan-3-yl)pentanamide
CID 82738802
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methyloxolan-3-yl)pentanamide
CID 82749018
2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]pentanoic acid
CID 61203915
2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid
CID 61196558

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]pentanoic acid?
The IUPAC name of (2S)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]pentanoic acid (CID 107567425) is (2S)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for (2S)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]pentanoic acid is CCC[C@H](NC(=O)N(C)C1CCOC1C)C(=O)O.
What is the InChIKey of (2S)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]pentanoic acid?
The InChIKey is JQFLWEZJKVUGEL-KYHHOPLUSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-4-5-9(11(15)16)13-12(17)14(3)10-6-7-18-8(10)2/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)/t8?,9-,10?/m0/s1.
What are the key properties of (2S)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]pentanoic acid?
(2S)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]pentanoic acid has a molecular weight of 258.32 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 107567425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).