(4R)-4,5-diamino-4-fluoro-5-oxopentanoic acid

C5H9FN2O3 — CID 87215084

IUPAC(4R)-4,5-diamino-4-fluoro-5-oxopentanoic acid
SMILESNC(=O)[C@](N)(F)CCC(=O)O
InChIInChI=1S/C5H9FN2O3/c6-5(8,4(7)11)2-1-3(9)10/h1-2,8H2,(H2,7,11)(H,9,10)/t5-/m0/s1
InChIKeyIQSGQFOWGIJDDO-YFKPBYRVSA-N
MW164.14 g/mol
LogP-1.04
Rot. Bonds4

About (4R)-4,5-diamino-4-fluoro-5-oxopentanoic acid

(4R)-4,5-diamino-4-fluoro-5-oxopentanoic acid (PubChem CID 87215084) has the molecular formula C5H9FN2O3 and a molecular weight of 164.14 g/mol. Its IUPAC name is (4R)-4,5-diamino-4-fluoro-5-oxopentanoic acid.

Molecular Properties

Compound Name(4R)-4,5-diamino-4-fluoro-5-oxopentanoic acid
PubChem CID87215084
Molecular FormulaC5H9FN2O3
Molecular Weight164.14 g/mol
Exact Mass164.06
IUPAC Name(4R)-4,5-diamino-4-fluoro-5-oxopentanoic acid
SMILESNC(=O)[C@](N)(F)CCC(=O)O
InChIInChI=1S/C5H9FN2O3/c6-5(8,4(7)11)2-1-3(9)10/h1-2,8H2,(H2,7,11)(H,9,10)/t5-/m0/s1
InChIKeyIQSGQFOWGIJDDO-YFKPBYRVSA-N
XLogP-1.04
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4,4-diaminoheptanedioic acid
CID 158684867
4-amino-4-methylpentanoic acid
CID 158438218
(2R)-2-amino-2-(difluoromethyl)pentanedioic acid
CID 175133847
5,5,5-trifluoro-4,4-dimethylpentanoic acid
CID 129074963
2-amino-3-fluoro-3-hydroxyhexanedioic acid
CID 140720905
4-amino-4-oxobutanoic acid;molybdenum
CID 159348588
4,4-dihydroxyheptanedioic acid
CID 87892288
4-[[4-amino-7-[[1,5-dicarboxy-3-(2-carboxyethyl)pentan-3-yl]amino]-4-[3-[[1,5-dicarboxy-3-(2-carboxyethyl)pentan-3-yl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-4-(2-carboxyethyl)heptanedioic acid
CID 90442116
4,4-difluoro-4-(2,3,4,5,6-pentafluorophenyl)butanoic acid
CID 170903379
2,2-bis(2,2,2-trifluoroethyl)pentanedioic acid
CID 87891825
6-amino-4,4,6-trimethylheptanoic acid
CID 137482851
(2R)-2-amino-2-formylpentanedioic acid
CID 90902003

Frequently Asked Questions

What is the IUPAC name of (4R)-4,5-diamino-4-fluoro-5-oxopentanoic acid?
The IUPAC name of (4R)-4,5-diamino-4-fluoro-5-oxopentanoic acid (CID 87215084) is (4R)-4,5-diamino-4-fluoro-5-oxopentanoic acid.
What is the SMILES notation for (4R)-4,5-diamino-4-fluoro-5-oxopentanoic acid?
The canonical SMILES for (4R)-4,5-diamino-4-fluoro-5-oxopentanoic acid is NC(=O)[C@](N)(F)CCC(=O)O.
What is the InChIKey of (4R)-4,5-diamino-4-fluoro-5-oxopentanoic acid?
The InChIKey is IQSGQFOWGIJDDO-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H9FN2O3/c6-5(8,4(7)11)2-1-3(9)10/h1-2,8H2,(H2,7,11)(H,9,10)/t5-/m0/s1.
What are the key properties of (4R)-4,5-diamino-4-fluoro-5-oxopentanoic acid?
(4R)-4,5-diamino-4-fluoro-5-oxopentanoic acid has a molecular weight of 164.14 g/mol, XLogP of -1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4,5-diamino-4-fluoro-5-oxopentanoic acid is sourced from PubChem (CID 87215084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).