(2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]pentanoic acid

C11H20N2O4 — CID 107565154

IUPAC(2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)C1(C)COCC1N)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-4-7(9(14)15)13-10(16)11(2)6-17-5-8(11)12/h7-8H,3-6,12H2,1-2H3,(H,13,16)(H,14,15)/t7-,8?,11?/m0/s1
InChIKeyICXBYIKZHQEWTD-JYPKXMCJSA-N
MW244.29 g/mol
LogP-0.28
Rot. Bonds5

About (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]pentanoic acid

(2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]pentanoic acid (PubChem CID 107565154) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]pentanoic acid
PubChem CID107565154
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)C1(C)COCC1N)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-4-7(9(14)15)13-10(16)11(2)6-17-5-8(11)12/h7-8H,3-6,12H2,1-2H3,(H,13,16)(H,14,15)/t7-,8?,11?/m0/s1
InChIKeyICXBYIKZHQEWTD-JYPKXMCJSA-N
XLogP-0.28
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-amino-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]-4-oxobutanoic acid
CID 114005176
4-amino-N-(1-amino-1-oxopropan-2-yl)-3-methyloxolane-3-carboxamide
CID 66249428
4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-methyloxolane-3-carboxamide
CID 79249257
4-amino-N-(1-cyclohexylpropyl)-3-methyloxolane-3-carboxamide
CID 66263325
4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methyloxolane-3-carboxamide
CID 114151979
(2R)-2-[(1-methylcyclopropanecarbonyl)amino]pentanoic acid
CID 165451319
2-[(1-aminocyclopropanecarbonyl)amino]pentanoic acid
CID 65463645
4-amino-N-[2-(dimethylamino)-1-phenylethyl]-3-methyloxolane-3-carboxamide
CID 66250851
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methyloxolane-3-carboxamide
CID 66250598
3-[(4-amino-3-methyloxolane-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66262638
4-[[(4-amino-3-methyloxolane-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115439840
2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]pentanoic acid
CID 115923942

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]pentanoic acid (CID 107565154) is (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]pentanoic acid is CCC[C@H](NC(=O)C1(C)COCC1N)C(=O)O.
What is the InChIKey of (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]pentanoic acid?
The InChIKey is ICXBYIKZHQEWTD-JYPKXMCJSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-4-7(9(14)15)13-10(16)11(2)6-17-5-8(11)12/h7-8H,3-6,12H2,1-2H3,(H,13,16)(H,14,15)/t7-,8?,11?/m0/s1.
What are the key properties of (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]pentanoic acid?
(2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]pentanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107565154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).