(2R)-2-aminopentanedioic acid;formamide

C6H12N2O5 — CID 87175197

IUPAC(2R)-2-aminopentanedioic acid;formamide
SMILESNC=O.N[C@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.CH3NO/c6-3(5(9)10)1-2-4(7)8;2-1-3/h3H,1-2,6H2,(H,7,8)(H,9,10);1H,(H2,2,3)/t3-;/m1./s1
InChIKeyTXOVCWVJKRDBCM-AENDTGMFSA-N
MW192.17 g/mol
LogP-1.64
Rot. Bonds4

About (2R)-2-aminopentanedioic acid;formamide

(2R)-2-aminopentanedioic acid;formamide (PubChem CID 87175197) has the molecular formula C6H12N2O5 and a molecular weight of 192.17 g/mol. Its IUPAC name is (2R)-2-aminopentanedioic acid;formamide.

Molecular Properties

Compound Name(2R)-2-aminopentanedioic acid;formamide
PubChem CID87175197
Molecular FormulaC6H12N2O5
Molecular Weight192.17 g/mol
Exact Mass192.07
IUPAC Name(2R)-2-aminopentanedioic acid;formamide
SMILESNC=O.N[C@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.CH3NO/c6-3(5(9)10)1-2-4(7)8;2-1-3/h3H,1-2,6H2,(H,7,8)(H,9,10);1H,(H2,2,3)/t3-;/m1./s1
InChIKeyTXOVCWVJKRDBCM-AENDTGMFSA-N
XLogP-1.64
TPSA143.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
2-aminopentanedioic acid;hexahydrate
CID 173177476
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
CID 87237505
CID 87237505
strontium;(2R)-2-aminopentanedioic acid;hydride
CID 173074924
2-aminopentanedioic acid;ethene
CID 134284547

Frequently Asked Questions

What is the IUPAC name of (2R)-2-aminopentanedioic acid;formamide?
The IUPAC name of (2R)-2-aminopentanedioic acid;formamide (CID 87175197) is (2R)-2-aminopentanedioic acid;formamide.
What is the SMILES notation for (2R)-2-aminopentanedioic acid;formamide?
The canonical SMILES for (2R)-2-aminopentanedioic acid;formamide is NC=O.N[C@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-aminopentanedioic acid;formamide?
The InChIKey is TXOVCWVJKRDBCM-AENDTGMFSA-N. The full InChI is InChI=1S/C5H9NO4.CH3NO/c6-3(5(9)10)1-2-4(7)8;2-1-3/h3H,1-2,6H2,(H,7,8)(H,9,10);1H,(H2,2,3)/t3-;/m1./s1.
What are the key properties of (2R)-2-aminopentanedioic acid;formamide?
(2R)-2-aminopentanedioic acid;formamide has a molecular weight of 192.17 g/mol, XLogP of -1.64, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-aminopentanedioic acid;formamide is sourced from PubChem (CID 87175197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).