[(1R)-1-amino-5-(2-hydroxypent-4-ynoylamino)pentyl] formate

C11H18N2O4 — CID 89403450

IUPAC[(1R)-1-amino-5-(2-hydroxypent-4-ynoylamino)pentyl] formate
SMILESC#CCC(O)C(=O)NCCCC[C@H](N)OC=O
InChIInChI=1S/C11H18N2O4/c1-2-5-9(15)11(16)13-7-4-3-6-10(12)17-8-14/h1,8-10,15H,3-7,12H2,(H,13,16)/t9?,10-/m1/s1
InChIKeyZPEYDWONAOOSLL-QVDQXJPCSA-N
MW242.28 g/mol
LogP-0.89
Rot. Bonds9

About [(1R)-1-amino-5-(2-hydroxypent-4-ynoylamino)pentyl] formate

[(1R)-1-amino-5-(2-hydroxypent-4-ynoylamino)pentyl] formate (PubChem CID 89403450) has the molecular formula C11H18N2O4 and a molecular weight of 242.28 g/mol. Its IUPAC name is [(1R)-1-amino-5-(2-hydroxypent-4-ynoylamino)pentyl] formate.

Molecular Properties

Compound Name[(1R)-1-amino-5-(2-hydroxypent-4-ynoylamino)pentyl] formate
PubChem CID89403450
Molecular FormulaC11H18N2O4
Molecular Weight242.28 g/mol
Exact Mass242.13
IUPAC Name[(1R)-1-amino-5-(2-hydroxypent-4-ynoylamino)pentyl] formate
SMILESC#CCC(O)C(=O)NCCCC[C@H](N)OC=O
InChIInChI=1S/C11H18N2O4/c1-2-5-9(15)11(16)13-7-4-3-6-10(12)17-8-14/h1,8-10,15H,3-7,12H2,(H,13,16)/t9?,10-/m1/s1
InChIKeyZPEYDWONAOOSLL-QVDQXJPCSA-N
XLogP-0.89
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(1R)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] formate
CID 176804186
3-[(5-amino-5-formyloxypentyl)amino]-3-oxopropanoic acid
CID 89403463
[1-amino-5-(2-azidoethoxycarbonylamino)pentyl] formate
CID 122607485
1-aminooctyl formate
CID 174824755
[(1R)-1-amino-5-(1,3-thiazolidine-4-carbonylamino)pentyl] formate
CID 89403467
1-aminopentyl formate
CID 57047704
2-amino-N-(5-amino-5-oxopentyl)pent-4-ynamide
CID 106235864
(2R)-2-amino-N-hex-5-ynylpentanamide
CID 106213082
N-[(5S)-5-amino-6-oxohexyl]-2-methylpropanamide
CID 138751316
(2S)-2-amino-N-propylpent-4-ynamide
CID 82668022
2-amino-N-hex-5-ynylbutanamide
CID 103950447
tert-butyl N-[(5R)-5-amino-5-fluoropentyl]carbamate
CID 90126597

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-amino-5-(2-hydroxypent-4-ynoylamino)pentyl] formate?
The IUPAC name of [(1R)-1-amino-5-(2-hydroxypent-4-ynoylamino)pentyl] formate (CID 89403450) is [(1R)-1-amino-5-(2-hydroxypent-4-ynoylamino)pentyl] formate.
What is the SMILES notation for [(1R)-1-amino-5-(2-hydroxypent-4-ynoylamino)pentyl] formate?
The canonical SMILES for [(1R)-1-amino-5-(2-hydroxypent-4-ynoylamino)pentyl] formate is C#CCC(O)C(=O)NCCCC[C@H](N)OC=O.
What is the InChIKey of [(1R)-1-amino-5-(2-hydroxypent-4-ynoylamino)pentyl] formate?
The InChIKey is ZPEYDWONAOOSLL-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-2-5-9(15)11(16)13-7-4-3-6-10(12)17-8-14/h1,8-10,15H,3-7,12H2,(H,13,16)/t9?,10-/m1/s1.
What are the key properties of [(1R)-1-amino-5-(2-hydroxypent-4-ynoylamino)pentyl] formate?
[(1R)-1-amino-5-(2-hydroxypent-4-ynoylamino)pentyl] formate has a molecular weight of 242.28 g/mol, XLogP of -0.89, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-amino-5-(2-hydroxypent-4-ynoylamino)pentyl] formate is sourced from PubChem (CID 89403450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).