(2R)-2,7-diamino-5-oxoheptanoic acid

C7H14N2O3 — CID 174747193

IUPAC(2R)-2,7-diamino-5-oxoheptanoic acid
SMILESNCCC(=O)CC[C@@H](N)C(=O)O
InChIInChI=1S/C7H14N2O3/c8-4-3-5(10)1-2-6(9)7(11)12/h6H,1-4,8-9H2,(H,11,12)/t6-/m1/s1
InChIKeyIJOPXKNZSADYGN-ZCFIWIBFSA-N
MW174.20 g/mol
LogP-0.90
Rot. Bonds6

About (2R)-2,7-diamino-5-oxoheptanoic acid

(2R)-2,7-diamino-5-oxoheptanoic acid (PubChem CID 174747193) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2R)-2,7-diamino-5-oxoheptanoic acid.

Molecular Properties

Compound Name(2R)-2,7-diamino-5-oxoheptanoic acid
PubChem CID174747193
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(2R)-2,7-diamino-5-oxoheptanoic acid
SMILESNCCC(=O)CC[C@@H](N)C(=O)O
InChIInChI=1S/C7H14N2O3/c8-4-3-5(10)1-2-6(9)7(11)12/h6H,1-4,8-9H2,(H,11,12)/t6-/m1/s1
InChIKeyIJOPXKNZSADYGN-ZCFIWIBFSA-N
XLogP-0.90
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-aminopropanoic acid;2,5-diamino-5-oxopentanoic acid
CID 166652830
2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-diamino-5-oxopentanoic acid
CID 738
2,4-diaminobutanoic acid
CID 158725018
2-aminoethanethiol;(2S)-2,5-diamino-5-oxopentanoic acid
CID 174806169
2,5-diamino-5-oxopentanoic acid;dihydrochloride
CID 174895279
(2S)-2-aminopentanedioic acid;benzene
CID 161035359
aluminum 2,5-diamino-5-oxopentanoic acid
CID 20532187
2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770
(2S)-2,5-diamino-5-oxopentanoic acid;gold
CID 87376233
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059

Frequently Asked Questions

What is the IUPAC name of (2R)-2,7-diamino-5-oxoheptanoic acid?
The IUPAC name of (2R)-2,7-diamino-5-oxoheptanoic acid (CID 174747193) is (2R)-2,7-diamino-5-oxoheptanoic acid.
What is the SMILES notation for (2R)-2,7-diamino-5-oxoheptanoic acid?
The canonical SMILES for (2R)-2,7-diamino-5-oxoheptanoic acid is NCCC(=O)CC[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2,7-diamino-5-oxoheptanoic acid?
The InChIKey is IJOPXKNZSADYGN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14N2O3/c8-4-3-5(10)1-2-6(9)7(11)12/h6H,1-4,8-9H2,(H,11,12)/t6-/m1/s1.
What are the key properties of (2R)-2,7-diamino-5-oxoheptanoic acid?
(2R)-2,7-diamino-5-oxoheptanoic acid has a molecular weight of 174.20 g/mol, XLogP of -0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,7-diamino-5-oxoheptanoic acid is sourced from PubChem (CID 174747193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).