(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

C11H21NO4 — CID 39870673

IUPAC(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-6-7-11(5,8(13)14)12-9(15)16-10(2,3)4/h6-7H2,1-5H3,(H,12,15)(H,13,14)/t11-/m0/s1
InChIKeyBIYXUNJTZYRILK-NSHDSACASA-N
MW231.29 g/mol
LogP2.15
Rot. Bonds4

About (2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (PubChem CID 39870673) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is (2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
PubChem CID39870673
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-6-7-11(5,8(13)14)12-9(15)16-10(2,3)4/h6-7H2,1-5H3,(H,12,15)(H,13,14)/t11-/m0/s1
InChIKeyBIYXUNJTZYRILK-NSHDSACASA-N
XLogP2.15
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 148575187
5-amino-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 10752948
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propylpentanoic acid
CID 2762257
2,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 59028266
(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoic acid
CID 87242771
(2R)-4-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 87361724
2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
CID 53398095
2-(2,3-dimethylpentanoylamino)-2-methylpentanoic acid
CID 120517032
2-methyl-2-(2-methylbutanoylamino)pentanoic acid
CID 43618557
tert-butyl N-[(2R)-1-amino-2-methylpentan-2-yl]carbamate
CID 129411644
tert-butyl N-(1-amino-3-methylhexan-3-yl)carbamate
CID 151269852
2-(methoxycarbonylamino)-2-methylbutanoic acid
CID 79792133

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The IUPAC name of (2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (CID 39870673) is (2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.
What is the SMILES notation for (2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The canonical SMILES for (2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The InChIKey is BIYXUNJTZYRILK-NSHDSACASA-N. The full InChI is InChI=1S/C11H21NO4/c1-6-7-11(5,8(13)14)12-9(15)16-10(2,3)4/h6-7H2,1-5H3,(H,12,15)(H,13,14)/t11-/m0/s1.
What are the key properties of (2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid has a molecular weight of 231.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is sourced from PubChem (CID 39870673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).