[(5R)-5-amino-5-carboxy-2-oxopentyl]iminoazanide

C6H10N3O3- — CID 163160531

IUPAC[(5R)-5-amino-5-carboxy-2-oxopentyl]iminoazanide
SMILES[N-]=NCC(=O)CC[C@@H](N)C(=O)O
InChIInChI=1S/C6H10N3O3/c7-5(6(11)12)2-1-4(10)3-9-8/h5H,1-3,7H2,(H,11,12)/q-1/t5-/m1/s1
InChIKeyFBXSNQXTWDAVLK-RXMQYKEDSA-N
MW172.16 g/mol
LogP-0.23
Rot. Bonds6

About [(5R)-5-amino-5-carboxy-2-oxopentyl]iminoazanide

[(5R)-5-amino-5-carboxy-2-oxopentyl]iminoazanide (PubChem CID 163160531) has the molecular formula C6H10N3O3- and a molecular weight of 172.16 g/mol. Its IUPAC name is [(5R)-5-amino-5-carboxy-2-oxopentyl]iminoazanide.

Molecular Properties

Compound Name[(5R)-5-amino-5-carboxy-2-oxopentyl]iminoazanide
PubChem CID163160531
Molecular FormulaC6H10N3O3-
Molecular Weight172.16 g/mol
Exact Mass172.07
IUPAC Name[(5R)-5-amino-5-carboxy-2-oxopentyl]iminoazanide
SMILES[N-]=NCC(=O)CC[C@@H](N)C(=O)O
InChIInChI=1S/C6H10N3O3/c7-5(6(11)12)2-1-4(10)3-9-8/h5H,1-3,7H2,(H,11,12)/q-1/t5-/m1/s1
InChIKeyFBXSNQXTWDAVLK-RXMQYKEDSA-N
XLogP-0.23
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(2R)-2,7-diamino-5-oxoheptanoic acid
CID 174747193
2-aminopentanedioic acid
CID 611
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
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
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
2-aminopentanedioic acid;hexahydrate
CID 173177476

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-amino-5-carboxy-2-oxopentyl]iminoazanide?
The IUPAC name of [(5R)-5-amino-5-carboxy-2-oxopentyl]iminoazanide (CID 163160531) is [(5R)-5-amino-5-carboxy-2-oxopentyl]iminoazanide.
What is the SMILES notation for [(5R)-5-amino-5-carboxy-2-oxopentyl]iminoazanide?
The canonical SMILES for [(5R)-5-amino-5-carboxy-2-oxopentyl]iminoazanide is [N-]=NCC(=O)CC[C@@H](N)C(=O)O.
What is the InChIKey of [(5R)-5-amino-5-carboxy-2-oxopentyl]iminoazanide?
The InChIKey is FBXSNQXTWDAVLK-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10N3O3/c7-5(6(11)12)2-1-4(10)3-9-8/h5H,1-3,7H2,(H,11,12)/q-1/t5-/m1/s1.
What are the key properties of [(5R)-5-amino-5-carboxy-2-oxopentyl]iminoazanide?
[(5R)-5-amino-5-carboxy-2-oxopentyl]iminoazanide has a molecular weight of 172.16 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-amino-5-carboxy-2-oxopentyl]iminoazanide is sourced from PubChem (CID 163160531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).