(2R)-2-amino-2-(difluoromethyl)pentanedioic acid

C6H9F2NO4 — CID 175133847

IUPAC(2R)-2-amino-2-(difluoromethyl)pentanedioic acid
SMILESN[C@](CCC(=O)O)(C(=O)O)C(F)F
InChIInChI=1S/C6H9F2NO4/c7-4(8)6(9,5(12)13)2-1-3(10)11/h4H,1-2,9H2,(H,10,11)(H,12,13)/t6-/m0/s1
InChIKeyKYIIZXRYIWJREO-LURJTMIESA-N
MW197.14 g/mol
LogP-0.10
Rot. Bonds5

About (2R)-2-amino-2-(difluoromethyl)pentanedioic acid

(2R)-2-amino-2-(difluoromethyl)pentanedioic acid (PubChem CID 175133847) has the molecular formula C6H9F2NO4 and a molecular weight of 197.14 g/mol. Its IUPAC name is (2R)-2-amino-2-(difluoromethyl)pentanedioic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(difluoromethyl)pentanedioic acid
PubChem CID175133847
Molecular FormulaC6H9F2NO4
Molecular Weight197.14 g/mol
Exact Mass197.05
IUPAC Name(2R)-2-amino-2-(difluoromethyl)pentanedioic acid
SMILESN[C@](CCC(=O)O)(C(=O)O)C(F)F
InChIInChI=1S/C6H9F2NO4/c7-4(8)6(9,5(12)13)2-1-3(10)11/h4H,1-2,9H2,(H,10,11)(H,12,13)/t6-/m0/s1
InChIKeyKYIIZXRYIWJREO-LURJTMIESA-N
XLogP-0.10
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.14
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-diamino-2-(difluoromethyl)pentanoic acid
CID 3009
(4S)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid
CID 129452449
4,4-diaminoheptanedioic acid
CID 158684867
2,5-diamino-3,3,4-trideuterio-2-(difluoromethyl)pentanoic acid
CID 131674234
2-amino-2-(difluoromethyl)-5-(tetradecanoylamino)pentanoic acid
CID 22234735
2-amino-5-[6-[(4-amino-4-carboxy-5,5-difluoropentyl)carbamoyloxy]hexoxycarbonylamino]-2-(difluoromethyl)pentanoic acid
CID 11261139
4-amino-4-methylpentanoic acid
CID 158438218
(4R)-4,5-diamino-4-fluoro-5-oxopentanoic acid
CID 87215084
butanedioic acid;fluoroform
CID 159416748
2-amino-2-(difluoromethyl)-5-(1,1,1-trifluorooctadecan-2-ylideneamino)pentanoic acid
CID 11155996
2-amino-2-(difluoromethyl)-5-(2-propylpentanoylamino)pentanoic acid;hydrochloride
CID 162377034
2,5-diamino-2-[chloro(fluoro)methyl]pentanoic acid
CID 18177515

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(difluoromethyl)pentanedioic acid?
The IUPAC name of (2R)-2-amino-2-(difluoromethyl)pentanedioic acid (CID 175133847) is (2R)-2-amino-2-(difluoromethyl)pentanedioic acid.
What is the SMILES notation for (2R)-2-amino-2-(difluoromethyl)pentanedioic acid?
The canonical SMILES for (2R)-2-amino-2-(difluoromethyl)pentanedioic acid is N[C@](CCC(=O)O)(C(=O)O)C(F)F.
What is the InChIKey of (2R)-2-amino-2-(difluoromethyl)pentanedioic acid?
The InChIKey is KYIIZXRYIWJREO-LURJTMIESA-N. The full InChI is InChI=1S/C6H9F2NO4/c7-4(8)6(9,5(12)13)2-1-3(10)11/h4H,1-2,9H2,(H,10,11)(H,12,13)/t6-/m0/s1.
What are the key properties of (2R)-2-amino-2-(difluoromethyl)pentanedioic acid?
(2R)-2-amino-2-(difluoromethyl)pentanedioic acid has a molecular weight of 197.14 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(difluoromethyl)pentanedioic acid is sourced from PubChem (CID 175133847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).