(2S)-2-amino-6-formyloxyhexanoic acid

C7H13NO4 — CID 164706267

IUPAC(2S)-2-amino-6-formyloxyhexanoic acid
SMILESN[C@@H](CCCCOC=O)C(=O)O
InChIInChI=1S/C7H13NO4/c8-6(7(10)11)3-1-2-4-12-5-9/h5-6H,1-4,8H2,(H,10,11)/t6-/m0/s1
InChIKeySVUNXOGEYKDKHV-LURJTMIESA-N
MW175.18 g/mol
LogP-0.26
Rot. Bonds7

About (2S)-2-amino-6-formyloxyhexanoic acid

(2S)-2-amino-6-formyloxyhexanoic acid (PubChem CID 164706267) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is (2S)-2-amino-6-formyloxyhexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-formyloxyhexanoic acid
PubChem CID164706267
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name(2S)-2-amino-6-formyloxyhexanoic acid
SMILESN[C@@H](CCCCOC=O)C(=O)O
InChIInChI=1S/C7H13NO4/c8-6(7(10)11)3-1-2-4-12-5-9/h5-6H,1-4,8H2,(H,10,11)/t6-/m0/s1
InChIKeySVUNXOGEYKDKHV-LURJTMIESA-N
XLogP-0.26
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
6-formyloxy-2-(7-formyloxyheptoxycarbonyl)hexanoic acid
CID 173212644
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2,6-diaminoheptanedioic acid
CID 865
acetaldehyde;(2S)-2,6-diaminohexanoic acid
CID 87191323
(2R)-2-amino-6-hydroxyhexanoic acid
CID 5288041
2,10,10-triaminodecanoic acid
CID 141091504
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
2-amino-5-methoxypentanoic acid
CID 18361135
2-amino-6-(2-methylprop-2-enoyloxy)hexanoic acid
CID 123260181
sodium 2,6-diaminohexanoic acid
CID 18320454
2,13-diaminotridecanoic acid
CID 141414897

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-formyloxyhexanoic acid?
The IUPAC name of (2S)-2-amino-6-formyloxyhexanoic acid (CID 164706267) is (2S)-2-amino-6-formyloxyhexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-formyloxyhexanoic acid?
The canonical SMILES for (2S)-2-amino-6-formyloxyhexanoic acid is N[C@@H](CCCCOC=O)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-formyloxyhexanoic acid?
The InChIKey is SVUNXOGEYKDKHV-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO4/c8-6(7(10)11)3-1-2-4-12-5-9/h5-6H,1-4,8H2,(H,10,11)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-6-formyloxyhexanoic acid?
(2S)-2-amino-6-formyloxyhexanoic acid has a molecular weight of 175.18 g/mol, XLogP of -0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-formyloxyhexanoic acid is sourced from PubChem (CID 164706267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).