amino-[3-(dimethylamino)-2-hydroxypentyl]carbamic acid

C8H19N3O3 — CID 87839188

IUPACamino-[3-(dimethylamino)-2-hydroxypentyl]carbamic acid
SMILESCCC(C(O)CN(N)C(=O)O)N(C)C
InChIInChI=1S/C8H19N3O3/c1-4-6(10(2)3)7(12)5-11(9)8(13)14/h6-7,12H,4-5,9H2,1-3H3,(H,13,14)
InChIKeyDUDKILUPBIYIKZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP-0.46
Rot. Bonds5

About amino-[3-(dimethylamino)-2-hydroxypentyl]carbamic acid

amino-[3-(dimethylamino)-2-hydroxypentyl]carbamic acid (PubChem CID 87839188) has the molecular formula C8H19N3O3 and a molecular weight of 205.26 g/mol. Its IUPAC name is amino-[3-(dimethylamino)-2-hydroxypentyl]carbamic acid.

Molecular Properties

Compound Nameamino-[3-(dimethylamino)-2-hydroxypentyl]carbamic acid
PubChem CID87839188
Molecular FormulaC8H19N3O3
Molecular Weight205.26 g/mol
Exact Mass205.14
IUPAC Nameamino-[3-(dimethylamino)-2-hydroxypentyl]carbamic acid
SMILESCCC(C(O)CN(N)C(=O)O)N(C)C
InChIInChI=1S/C8H19N3O3/c1-4-6(10(2)3)7(12)5-11(9)8(13)14/h6-7,12H,4-5,9H2,1-3H3,(H,13,14)
InChIKeyDUDKILUPBIYIKZ-UHFFFAOYSA-N
XLogP-0.46
TPSA90.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino-[3-(dimethylamino)-2-hydroxypentyl]carbamic acid?
The IUPAC name of amino-[3-(dimethylamino)-2-hydroxypentyl]carbamic acid (CID 87839188) is amino-[3-(dimethylamino)-2-hydroxypentyl]carbamic acid.
What is the SMILES notation for amino-[3-(dimethylamino)-2-hydroxypentyl]carbamic acid?
The canonical SMILES for amino-[3-(dimethylamino)-2-hydroxypentyl]carbamic acid is CCC(C(O)CN(N)C(=O)O)N(C)C.
What is the InChIKey of amino-[3-(dimethylamino)-2-hydroxypentyl]carbamic acid?
The InChIKey is DUDKILUPBIYIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3/c1-4-6(10(2)3)7(12)5-11(9)8(13)14/h6-7,12H,4-5,9H2,1-3H3,(H,13,14).
What are the key properties of amino-[3-(dimethylamino)-2-hydroxypentyl]carbamic acid?
amino-[3-(dimethylamino)-2-hydroxypentyl]carbamic acid has a molecular weight of 205.26 g/mol, XLogP of -0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[3-(dimethylamino)-2-hydroxypentyl]carbamic acid is sourced from PubChem (CID 87839188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).