2-amino-2-(3-amino-3-cyclobutylpropyl)propanedioic acid

C10H18N2O4 — CID 70402592

IUPAC2-amino-2-(3-amino-3-cyclobutylpropyl)propanedioic acid
SMILESNC(CCC(N)(C(=O)O)C(=O)O)C1CCC1
InChIInChI=1S/C10H18N2O4/c11-7(6-2-1-3-6)4-5-10(12,8(13)14)9(15)16/h6-7H,1-5,11-12H2,(H,13,14)(H,15,16)
InChIKeyAYTNXISCEDSXRK-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.24
Rot. Bonds6

About 2-amino-2-(3-amino-3-cyclobutylpropyl)propanedioic acid

2-amino-2-(3-amino-3-cyclobutylpropyl)propanedioic acid (PubChem CID 70402592) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-amino-2-(3-amino-3-cyclobutylpropyl)propanedioic acid.

Molecular Properties

Compound Name2-amino-2-(3-amino-3-cyclobutylpropyl)propanedioic acid
PubChem CID70402592
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-amino-2-(3-amino-3-cyclobutylpropyl)propanedioic acid
SMILESNC(CCC(N)(C(=O)O)C(=O)O)C1CCC1
InChIInChI=1S/C10H18N2O4/c11-7(6-2-1-3-6)4-5-10(12,8(13)14)9(15)16/h6-7H,1-5,11-12H2,(H,13,14)(H,15,16)
InChIKeyAYTNXISCEDSXRK-UHFFFAOYSA-N
XLogP-0.24
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-amino-4-cyclobutylbutanoic acid
CID 55293658
1-cyclohexyl-4,4,4-trifluorobutan-1-amine
CID 64565147
(4S)-4-amino-4-cyclopropylbutanoic acid
CID 55291872
1-cyclopropyl-4,4,4-trifluorobutan-1-amine
CID 64565355
(1R)-1-cyclobutylbutan-1-amine
CID 55293085
(5-amino-5-cyclopropyl-2-methylpentan-2-yl) carbamate
CID 174597226
5-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentanoic acid
CID 67915104
lithium;(3S)-3-amino-3-cyclohexylpropanoic acid;hydride
CID 174434398
azane;1-cyclobutylbutan-1-amine;dihydrate
CID 140660348
1-cyclooctyl-3-cyclopropylpropan-1-amine
CID 80603761
(4S)-4-amino-4-cyclohexylbutan-1-ol
CID 102516079
2-amino-2-cyclobutyl-3,3-difluoropropanoic acid
CID 105437833

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-amino-3-cyclobutylpropyl)propanedioic acid?
The IUPAC name of 2-amino-2-(3-amino-3-cyclobutylpropyl)propanedioic acid (CID 70402592) is 2-amino-2-(3-amino-3-cyclobutylpropyl)propanedioic acid.
What is the SMILES notation for 2-amino-2-(3-amino-3-cyclobutylpropyl)propanedioic acid?
The canonical SMILES for 2-amino-2-(3-amino-3-cyclobutylpropyl)propanedioic acid is NC(CCC(N)(C(=O)O)C(=O)O)C1CCC1.
What is the InChIKey of 2-amino-2-(3-amino-3-cyclobutylpropyl)propanedioic acid?
The InChIKey is AYTNXISCEDSXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c11-7(6-2-1-3-6)4-5-10(12,8(13)14)9(15)16/h6-7H,1-5,11-12H2,(H,13,14)(H,15,16).
What are the key properties of 2-amino-2-(3-amino-3-cyclobutylpropyl)propanedioic acid?
2-amino-2-(3-amino-3-cyclobutylpropyl)propanedioic acid has a molecular weight of 230.26 g/mol, XLogP of -0.24, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-amino-3-cyclobutylpropyl)propanedioic acid is sourced from PubChem (CID 70402592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).