6-amino-2-[3-(dihydroxyamino)oxypropoxycarbonylamino]hexanoic acid

C10H21N3O7 — CID 89081480

IUPAC6-amino-2-[3-(dihydroxyamino)oxypropoxycarbonylamino]hexanoic acid
SMILESNCCCCC(NC(=O)OCCCON(O)O)C(=O)O
InChIInChI=1S/C10H21N3O7/c11-5-2-1-4-8(9(14)15)12-10(16)19-6-3-7-20-13(17)18/h8,17-18H,1-7,11H2,(H,12,16)(H,14,15)
InChIKeyDLJAQPJIWXQITP-UHFFFAOYSA-N
MW295.29 g/mol
LogP-0.30
Rot. Bonds11

About 6-amino-2-[3-(dihydroxyamino)oxypropoxycarbonylamino]hexanoic acid

6-amino-2-[3-(dihydroxyamino)oxypropoxycarbonylamino]hexanoic acid (PubChem CID 89081480) has the molecular formula C10H21N3O7 and a molecular weight of 295.29 g/mol. Its IUPAC name is 6-amino-2-[3-(dihydroxyamino)oxypropoxycarbonylamino]hexanoic acid.

Molecular Properties

Compound Name6-amino-2-[3-(dihydroxyamino)oxypropoxycarbonylamino]hexanoic acid
PubChem CID89081480
Molecular FormulaC10H21N3O7
Molecular Weight295.29 g/mol
Exact Mass295.14
IUPAC Name6-amino-2-[3-(dihydroxyamino)oxypropoxycarbonylamino]hexanoic acid
SMILESNCCCCC(NC(=O)OCCCON(O)O)C(=O)O
InChIInChI=1S/C10H21N3O7/c11-5-2-1-4-8(9(14)15)12-10(16)19-6-3-7-20-13(17)18/h8,17-18H,1-7,11H2,(H,12,16)(H,14,15)
InChIKeyDLJAQPJIWXQITP-UHFFFAOYSA-N
XLogP-0.30
TPSA154.58 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 5-0.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-amino-2-[6-(dihydroxyamino)oxyhexanoylamino]hexanoic acid
CID 89081486
5-[[amino-[6-(dihydroxyamino)oxyhexoxycarbonylamino]methylidene]amino]-2-[5-(dihydroxyamino)oxypentoxycarbonylamino]pentanoic acid
CID 89081200
(2R)-6-amino-2-(2-azidoethoxycarbonylamino)hexanoic acid
CID 156538701
6-amino-2-[(6-methyl-5-nonyltetradecoxy)carbonylamino]hexanoic acid
CID 175393915
2-(butoxycarbonylamino)octanoic acid
CID 87548518
(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid
CID 3080576
5-[[amino-[4-(dihydroxyamino)oxybutoxycarbonylamino]methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 89081213
6-amino-2-[[2-[[2-(butoxycarbonylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]hexanoic acid
CID 21120613
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357
2,6-bis(2-hydroxyethoxycarbonylamino)hexanoic acid
CID 177147686
(2S)-6-amino-2-(8-aminooctanoylamino)hexanoic acid
CID 118249963
ethyl 6-amino-2-(ethoxycarbonylamino)hexanoate
CID 139792827

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[3-(dihydroxyamino)oxypropoxycarbonylamino]hexanoic acid?
The IUPAC name of 6-amino-2-[3-(dihydroxyamino)oxypropoxycarbonylamino]hexanoic acid (CID 89081480) is 6-amino-2-[3-(dihydroxyamino)oxypropoxycarbonylamino]hexanoic acid.
What is the SMILES notation for 6-amino-2-[3-(dihydroxyamino)oxypropoxycarbonylamino]hexanoic acid?
The canonical SMILES for 6-amino-2-[3-(dihydroxyamino)oxypropoxycarbonylamino]hexanoic acid is NCCCCC(NC(=O)OCCCON(O)O)C(=O)O.
What is the InChIKey of 6-amino-2-[3-(dihydroxyamino)oxypropoxycarbonylamino]hexanoic acid?
The InChIKey is DLJAQPJIWXQITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O7/c11-5-2-1-4-8(9(14)15)12-10(16)19-6-3-7-20-13(17)18/h8,17-18H,1-7,11H2,(H,12,16)(H,14,15).
What are the key properties of 6-amino-2-[3-(dihydroxyamino)oxypropoxycarbonylamino]hexanoic acid?
6-amino-2-[3-(dihydroxyamino)oxypropoxycarbonylamino]hexanoic acid has a molecular weight of 295.29 g/mol, XLogP of -0.30, 11 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[3-(dihydroxyamino)oxypropoxycarbonylamino]hexanoic acid is sourced from PubChem (CID 89081480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).