CID 175390932

C10H18BN3O3 — CID 175390932

IUPAC—
SMILES[B]CC[C@H]1CN(C(=O)[C@H](C)N)C[C@@]1(N)C(=O)O
InChIInChI=1S/C10H18BN3O3/c1-6(12)8(15)14-4-7(2-3-11)10(13,5-14)9(16)17/h6-7H,2-5,12-13H2,1H3,(H,16,17)/t6-,7-,10-/m0/s1
InChIKeyNVDFAYMWBLEGIQ-BYULHYEWSA-N
MW239.08 g/mol
LogP-1.45
Rot. Bonds4

About CID 175390932

CID 175390932 (PubChem CID 175390932) has the molecular formula C10H18BN3O3 and a molecular weight of 239.08 g/mol.

Molecular Properties

Compound NameCID 175390932
PubChem CID175390932
Molecular FormulaC10H18BN3O3
Molecular Weight239.08 g/mol
Exact Mass239.14
IUPAC Name—
SMILES[B]CC[C@H]1CN(C(=O)[C@H](C)N)C[C@@]1(N)C(=O)O
InChIInChI=1S/C10H18BN3O3/c1-6(12)8(15)14-4-7(2-3-11)10(13,5-14)9(16)17/h6-7H,2-5,12-13H2,1H3,(H,16,17)/t6-,7-,10-/m0/s1
InChIKeyNVDFAYMWBLEGIQ-BYULHYEWSA-N
XLogP-1.45
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 175390932?
The IUPAC name of CID 175390932 (CID 175390932) is not available.
What is the SMILES notation for CID 175390932?
The canonical SMILES for CID 175390932 is [B]CC[C@H]1CN(C(=O)[C@H](C)N)C[C@@]1(N)C(=O)O.
What is the InChIKey of CID 175390932?
The InChIKey is NVDFAYMWBLEGIQ-BYULHYEWSA-N. The full InChI is InChI=1S/C10H18BN3O3/c1-6(12)8(15)14-4-7(2-3-11)10(13,5-14)9(16)17/h6-7H,2-5,12-13H2,1H3,(H,16,17)/t6-,7-,10-/m0/s1.
What are the key properties of CID 175390932?
CID 175390932 has a molecular weight of 239.08 g/mol, XLogP of -1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175390932 is sourced from PubChem (CID 175390932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).