[(1R)-1-[(1-aminocyclopropanecarbonyl)amino]ethyl]boronic acid

C6H13BN2O3 — CID 16658877

IUPAC[(1R)-1-[(1-aminocyclopropanecarbonyl)amino]ethyl]boronic acid
SMILESC[C@H](NC(=O)C1(N)CC1)B(O)O
InChIInChI=1S/C6H13BN2O3/c1-4(7(11)12)9-5(10)6(8)2-3-6/h4,11-12H,2-3,8H2,1H3,(H,9,10)/t4-/m0/s1
InChIKeyQZLXHWXXBMPLHP-BYPYZUCNSA-N
MW171.99 g/mol
LogP-2.01
Rot. Bonds3

About [(1R)-1-[(1-aminocyclopropanecarbonyl)amino]ethyl]boronic acid

[(1R)-1-[(1-aminocyclopropanecarbonyl)amino]ethyl]boronic acid (PubChem CID 16658877) has the molecular formula C6H13BN2O3 and a molecular weight of 171.99 g/mol. Its IUPAC name is [(1R)-1-[(1-aminocyclopropanecarbonyl)amino]ethyl]boronic acid.

Molecular Properties

Compound Name[(1R)-1-[(1-aminocyclopropanecarbonyl)amino]ethyl]boronic acid
PubChem CID16658877
Molecular FormulaC6H13BN2O3
Molecular Weight171.99 g/mol
Exact Mass172.10
IUPAC Name[(1R)-1-[(1-aminocyclopropanecarbonyl)amino]ethyl]boronic acid
SMILESC[C@H](NC(=O)C1(N)CC1)B(O)O
InChIInChI=1S/C6H13BN2O3/c1-4(7(11)12)9-5(10)6(8)2-3-6/h4,11-12H,2-3,8H2,1H3,(H,9,10)/t4-/m0/s1
InChIKeyQZLXHWXXBMPLHP-BYPYZUCNSA-N
XLogP-2.01
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.99
LogP ≤ 5-2.01
H-Bond Donors ≤ 54
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 [(1R)-1-[(1-aminocyclopropanecarbonyl)amino]ethyl]boronic acid?
The IUPAC name of [(1R)-1-[(1-aminocyclopropanecarbonyl)amino]ethyl]boronic acid (CID 16658877) is [(1R)-1-[(1-aminocyclopropanecarbonyl)amino]ethyl]boronic acid.
What is the SMILES notation for [(1R)-1-[(1-aminocyclopropanecarbonyl)amino]ethyl]boronic acid?
The canonical SMILES for [(1R)-1-[(1-aminocyclopropanecarbonyl)amino]ethyl]boronic acid is C[C@H](NC(=O)C1(N)CC1)B(O)O.
What is the InChIKey of [(1R)-1-[(1-aminocyclopropanecarbonyl)amino]ethyl]boronic acid?
The InChIKey is QZLXHWXXBMPLHP-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H13BN2O3/c1-4(7(11)12)9-5(10)6(8)2-3-6/h4,11-12H,2-3,8H2,1H3,(H,9,10)/t4-/m0/s1.
What are the key properties of [(1R)-1-[(1-aminocyclopropanecarbonyl)amino]ethyl]boronic acid?
[(1R)-1-[(1-aminocyclopropanecarbonyl)amino]ethyl]boronic acid has a molecular weight of 171.99 g/mol, XLogP of -2.01, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(1-aminocyclopropanecarbonyl)amino]ethyl]boronic acid is sourced from PubChem (CID 16658877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).