(2R)-2-amino-2-formylpentanedioic acid

C6H9NO5 — CID 90902003

IUPAC(2R)-2-amino-2-formylpentanedioic acid
SMILESN[C@@](C=O)(CCC(=O)O)C(=O)O
InChIInChI=1S/C6H9NO5/c7-6(3-8,5(11)12)2-1-4(9)10/h3H,1-2,7H2,(H,9,10)(H,11,12)/t6-/m1/s1
InChIKeyPCJYANABPUXRFV-ZCFIWIBFSA-N
MW175.14 g/mol
LogP-1.17
Rot. Bonds5

About (2R)-2-amino-2-formylpentanedioic acid

(2R)-2-amino-2-formylpentanedioic acid (PubChem CID 90902003) has the molecular formula C6H9NO5 and a molecular weight of 175.14 g/mol. Its IUPAC name is (2R)-2-amino-2-formylpentanedioic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-formylpentanedioic acid
PubChem CID90902003
Molecular FormulaC6H9NO5
Molecular Weight175.14 g/mol
Exact Mass175.05
IUPAC Name(2R)-2-amino-2-formylpentanedioic acid
SMILESN[C@@](C=O)(CCC(=O)O)C(=O)O
InChIInChI=1S/C6H9NO5/c7-6(3-8,5(11)12)2-1-4(9)10/h3H,1-2,7H2,(H,9,10)(H,11,12)/t6-/m1/s1
InChIKeyPCJYANABPUXRFV-ZCFIWIBFSA-N
XLogP-1.17
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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-formyl-4-methoxy-4-oxobutanoic acid
CID 57247380
4-ethyl-4-formylheptanedioic acid
CID 102446451
(2R)-2-amino-2-(difluoromethyl)pentanedioic acid
CID 175133847
3-formyl-3-phosphonohexanedioic acid
CID 59392006
(2S)-2-amino-2-sulfooxypentanedioic acid
CID 11322472
4-formyl-5-hydroxy-4-methylpentanoic acid
CID 123307328
3-amino-3-ethenylhexanedioic acid
CID 57308647
4,4-dihydroxyheptanedioic acid
CID 87892288
(4R)-4,5-diamino-4-fluoro-5-oxopentanoic acid
CID 87215084
1-methylpropane-1,1,3-tricarboxylic acid
CID 3451460

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-formylpentanedioic acid?
The IUPAC name of (2R)-2-amino-2-formylpentanedioic acid (CID 90902003) is (2R)-2-amino-2-formylpentanedioic acid.
What is the SMILES notation for (2R)-2-amino-2-formylpentanedioic acid?
The canonical SMILES for (2R)-2-amino-2-formylpentanedioic acid is N[C@@](C=O)(CCC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-amino-2-formylpentanedioic acid?
The InChIKey is PCJYANABPUXRFV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H9NO5/c7-6(3-8,5(11)12)2-1-4(9)10/h3H,1-2,7H2,(H,9,10)(H,11,12)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-2-formylpentanedioic acid?
(2R)-2-amino-2-formylpentanedioic acid has a molecular weight of 175.14 g/mol, XLogP of -1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-formylpentanedioic acid is sourced from PubChem (CID 90902003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).