(2S)-2-amino-4-formyloxypentanedioic acid

C6H9NO6 — CID 176766675

IUPAC(2S)-2-amino-4-formyloxypentanedioic acid
SMILESN[C@@H](CC(OC=O)C(=O)O)C(=O)O
InChIInChI=1S/C6H9NO6/c7-3(5(9)10)1-4(6(11)12)13-2-8/h2-4H,1,7H2,(H,9,10)(H,11,12)/t3-,4?/m0/s1
InChIKeyLDNJKWJZLRRMMF-WUCPZUCCSA-N
MW191.14 g/mol
LogP-1.59
Rot. Bonds6

About (2S)-2-amino-4-formyloxypentanedioic acid

(2S)-2-amino-4-formyloxypentanedioic acid (PubChem CID 176766675) has the molecular formula C6H9NO6 and a molecular weight of 191.14 g/mol. Its IUPAC name is (2S)-2-amino-4-formyloxypentanedioic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-formyloxypentanedioic acid
PubChem CID176766675
Molecular FormulaC6H9NO6
Molecular Weight191.14 g/mol
Exact Mass191.04
IUPAC Name(2S)-2-amino-4-formyloxypentanedioic acid
SMILESN[C@@H](CC(OC=O)C(=O)O)C(=O)O
InChIInChI=1S/C6H9NO6/c7-3(5(9)10)1-4(6(11)12)13-2-8/h2-4H,1,7H2,(H,9,10)(H,11,12)/t3-,4?/m0/s1
InChIKeyLDNJKWJZLRRMMF-WUCPZUCCSA-N
XLogP-1.59
TPSA126.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-formyloxy-4,4-dimethylpentanoic acid
CID 167420755
2-amino-4-(2-(18F)fluoroethoxy)pentanedioic acid
CID 24984972
2,4,6-triaminoheptanedioic acid
CID 71362819
(2R)-2-amino-4-methanethioylpentanedioic acid
CID 87753944
acetaldehyde;(2R)-2-amino-4-methylpentanoic acid
CID 155104074
(2S)-2-amino-4-[[(3R)-3-amino-3-formyloxypropyl]disulfanyl]butanoic acid
CID 89280651
(Z)-2,7-diaminooct-4-enedioic acid
CID 90205978
(2R)-2-amino-4-formamido-4-oxobutanoic acid
CID 131868745
(2R)-2-amino-4-hydroxypentanedioic acid
CID 59133640
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
(2S)-2-amino-4-(114C)methyl(514C)pentanoic acid
CID 10240856
2-aminobutanedioic acid;oxaldehydic acid
CID 146197472

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-formyloxypentanedioic acid?
The IUPAC name of (2S)-2-amino-4-formyloxypentanedioic acid (CID 176766675) is (2S)-2-amino-4-formyloxypentanedioic acid.
What is the SMILES notation for (2S)-2-amino-4-formyloxypentanedioic acid?
The canonical SMILES for (2S)-2-amino-4-formyloxypentanedioic acid is N[C@@H](CC(OC=O)C(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-formyloxypentanedioic acid?
The InChIKey is LDNJKWJZLRRMMF-WUCPZUCCSA-N. The full InChI is InChI=1S/C6H9NO6/c7-3(5(9)10)1-4(6(11)12)13-2-8/h2-4H,1,7H2,(H,9,10)(H,11,12)/t3-,4?/m0/s1.
What are the key properties of (2S)-2-amino-4-formyloxypentanedioic acid?
(2S)-2-amino-4-formyloxypentanedioic acid has a molecular weight of 191.14 g/mol, XLogP of -1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-formyloxypentanedioic acid is sourced from PubChem (CID 176766675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).