(2R)-4-amino-2-[(4-aminooxane-4-carbonyl)amino]-4-oxobutanoic acid

C10H17N3O5 — CID 103870266

IUPAC(2R)-4-amino-2-[(4-aminooxane-4-carbonyl)amino]-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NC(=O)C1(N)CCOCC1)C(=O)O
InChIInChI=1S/C10H17N3O5/c11-7(14)5-6(8(15)16)13-9(17)10(12)1-3-18-4-2-10/h6H,1-5,12H2,(H2,11,14)(H,13,17)(H,15,16)/t6-/m1/s1
InChIKeyKSCLTHQLLHSYJL-ZCFIWIBFSA-N
MW259.26 g/mol
LogP-2.06
Rot. Bonds5

About (2R)-4-amino-2-[(4-aminooxane-4-carbonyl)amino]-4-oxobutanoic acid

(2R)-4-amino-2-[(4-aminooxane-4-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 103870266) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is (2R)-4-amino-2-[(4-aminooxane-4-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[(4-aminooxane-4-carbonyl)amino]-4-oxobutanoic acid
PubChem CID103870266
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name(2R)-4-amino-2-[(4-aminooxane-4-carbonyl)amino]-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NC(=O)C1(N)CCOCC1)C(=O)O
InChIInChI=1S/C10H17N3O5/c11-7(14)5-6(8(15)16)13-9(17)10(12)1-3-18-4-2-10/h6H,1-5,12H2,(H2,11,14)(H,13,17)(H,15,16)/t6-/m1/s1
InChIKeyKSCLTHQLLHSYJL-ZCFIWIBFSA-N
XLogP-2.06
TPSA144.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-2.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[(4-aminooxane-4-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[(4-aminooxane-4-carbonyl)amino]-4-oxobutanoic acid (CID 103870266) is (2R)-4-amino-2-[(4-aminooxane-4-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[(4-aminooxane-4-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[(4-aminooxane-4-carbonyl)amino]-4-oxobutanoic acid is NC(=O)C[C@@H](NC(=O)C1(N)CCOCC1)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-[(4-aminooxane-4-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is KSCLTHQLLHSYJL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H17N3O5/c11-7(14)5-6(8(15)16)13-9(17)10(12)1-3-18-4-2-10/h6H,1-5,12H2,(H2,11,14)(H,13,17)(H,15,16)/t6-/m1/s1.
What are the key properties of (2R)-4-amino-2-[(4-aminooxane-4-carbonyl)amino]-4-oxobutanoic acid?
(2R)-4-amino-2-[(4-aminooxane-4-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 259.26 g/mol, XLogP of -2.06, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[(4-aminooxane-4-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 103870266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).