(2S)-2-amino-4-(oxan-4-ylcarbamoylamino)butanoic acid

C10H19N3O4 — CID 70945860

IUPAC(2S)-2-amino-4-(oxan-4-ylcarbamoylamino)butanoic acid
SMILESN[C@@H](CCNC(=O)NC1CCOCC1)C(=O)O
InChIInChI=1S/C10H19N3O4/c11-8(9(14)15)1-4-12-10(16)13-7-2-5-17-6-3-7/h7-8H,1-6,11H2,(H,14,15)(H2,12,13,16)/t8-/m0/s1
InChIKeyQPFUUCDHPJZLFH-QMMMGPOBSA-N
MW245.28 g/mol
LogP-0.73
Rot. Bonds5

About (2S)-2-amino-4-(oxan-4-ylcarbamoylamino)butanoic acid

(2S)-2-amino-4-(oxan-4-ylcarbamoylamino)butanoic acid (PubChem CID 70945860) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2S)-2-amino-4-(oxan-4-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(oxan-4-ylcarbamoylamino)butanoic acid
PubChem CID70945860
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name(2S)-2-amino-4-(oxan-4-ylcarbamoylamino)butanoic acid
SMILESN[C@@H](CCNC(=O)NC1CCOCC1)C(=O)O
InChIInChI=1S/C10H19N3O4/c11-8(9(14)15)1-4-12-10(16)13-7-2-5-17-6-3-7/h7-8H,1-6,11H2,(H,14,15)(H2,12,13,16)/t8-/m0/s1
InChIKeyQPFUUCDHPJZLFH-QMMMGPOBSA-N
XLogP-0.73
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(oxan-4-ylcarbamoylamino)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(oxan-4-ylcarbamoylamino)butanoic acid (CID 70945860) is (2S)-2-amino-4-(oxan-4-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(oxan-4-ylcarbamoylamino)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(oxan-4-ylcarbamoylamino)butanoic acid is N[C@@H](CCNC(=O)NC1CCOCC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(oxan-4-ylcarbamoylamino)butanoic acid?
The InChIKey is QPFUUCDHPJZLFH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19N3O4/c11-8(9(14)15)1-4-12-10(16)13-7-2-5-17-6-3-7/h7-8H,1-6,11H2,(H,14,15)(H2,12,13,16)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-4-(oxan-4-ylcarbamoylamino)butanoic acid?
(2S)-2-amino-4-(oxan-4-ylcarbamoylamino)butanoic acid has a molecular weight of 245.28 g/mol, XLogP of -0.73, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(oxan-4-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 70945860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).