7-[amino-[(1R)-1-amino-1-carboxyethyl]amino]-7-oxoheptanoic acid

C10H19N3O5 — CID 150111225

IUPAC7-[amino-[(1R)-1-amino-1-carboxyethyl]amino]-7-oxoheptanoic acid
SMILESC[C@](N)(C(=O)O)N(N)C(=O)CCCCCC(=O)O
InChIInChI=1S/C10H19N3O5/c1-10(11,9(17)18)13(12)7(14)5-3-2-4-6-8(15)16/h2-6,11-12H2,1H3,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyDXHIWAHRHBLIQU-SNVBAGLBSA-N
MW261.28 g/mol
LogP-0.52
Rot. Bonds8

About 7-[amino-[(1R)-1-amino-1-carboxyethyl]amino]-7-oxoheptanoic acid

7-[amino-[(1R)-1-amino-1-carboxyethyl]amino]-7-oxoheptanoic acid (PubChem CID 150111225) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is 7-[amino-[(1R)-1-amino-1-carboxyethyl]amino]-7-oxoheptanoic acid.

Molecular Properties

Compound Name7-[amino-[(1R)-1-amino-1-carboxyethyl]amino]-7-oxoheptanoic acid
PubChem CID150111225
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name7-[amino-[(1R)-1-amino-1-carboxyethyl]amino]-7-oxoheptanoic acid
SMILESC[C@](N)(C(=O)O)N(N)C(=O)CCCCCC(=O)O
InChIInChI=1S/C10H19N3O5/c1-10(11,9(17)18)13(12)7(14)5-3-2-4-6-8(15)16/h2-6,11-12H2,1H3,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyDXHIWAHRHBLIQU-SNVBAGLBSA-N
XLogP-0.52
TPSA146.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

azane;tridecanedioic acid
CID 174979532
azane;decanedioic acid;nonanedioic acid
CID 174896485
12-(diethylamino)-12-oxododecanoic acid
CID 19794003
methanol;tridecanedioic acid
CID 175511493
azane;decanedioic acid;tetrahydrate
CID 175249510
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
azane;hexanedioic acid
CID 14323449

Frequently Asked Questions

What is the IUPAC name of 7-[amino-[(1R)-1-amino-1-carboxyethyl]amino]-7-oxoheptanoic acid?
The IUPAC name of 7-[amino-[(1R)-1-amino-1-carboxyethyl]amino]-7-oxoheptanoic acid (CID 150111225) is 7-[amino-[(1R)-1-amino-1-carboxyethyl]amino]-7-oxoheptanoic acid.
What is the SMILES notation for 7-[amino-[(1R)-1-amino-1-carboxyethyl]amino]-7-oxoheptanoic acid?
The canonical SMILES for 7-[amino-[(1R)-1-amino-1-carboxyethyl]amino]-7-oxoheptanoic acid is C[C@](N)(C(=O)O)N(N)C(=O)CCCCCC(=O)O.
What is the InChIKey of 7-[amino-[(1R)-1-amino-1-carboxyethyl]amino]-7-oxoheptanoic acid?
The InChIKey is DXHIWAHRHBLIQU-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H19N3O5/c1-10(11,9(17)18)13(12)7(14)5-3-2-4-6-8(15)16/h2-6,11-12H2,1H3,(H,15,16)(H,17,18)/t10-/m1/s1.
What are the key properties of 7-[amino-[(1R)-1-amino-1-carboxyethyl]amino]-7-oxoheptanoic acid?
7-[amino-[(1R)-1-amino-1-carboxyethyl]amino]-7-oxoheptanoic acid has a molecular weight of 261.28 g/mol, XLogP of -0.52, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[amino-[(1R)-1-amino-1-carboxyethyl]amino]-7-oxoheptanoic acid is sourced from PubChem (CID 150111225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).