(2S)-4-(diethylamino)-2-(methoxycarbonylamino)butanoic acid

C10H20N2O4 — CID 59166505

IUPAC(2S)-4-(diethylamino)-2-(methoxycarbonylamino)butanoic acid
SMILESCCN(CC)CC[C@H](NC(=O)OC)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-12(5-2)7-6-8(9(13)14)11-10(15)16-3/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14)/t8-/m0/s1
InChIKeyJWYOBWDGRVVXGB-QMMMGPOBSA-N
MW232.28 g/mol
LogP0.53
Rot. Bonds7

About (2S)-4-(diethylamino)-2-(methoxycarbonylamino)butanoic acid

(2S)-4-(diethylamino)-2-(methoxycarbonylamino)butanoic acid (PubChem CID 59166505) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2S)-4-(diethylamino)-2-(methoxycarbonylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-4-(diethylamino)-2-(methoxycarbonylamino)butanoic acid
PubChem CID59166505
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(2S)-4-(diethylamino)-2-(methoxycarbonylamino)butanoic acid
SMILESCCN(CC)CC[C@H](NC(=O)OC)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-12(5-2)7-6-8(9(13)14)11-10(15)16-3/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14)/t8-/m0/s1
InChIKeyJWYOBWDGRVVXGB-QMMMGPOBSA-N
XLogP0.53
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(diethylamino)-2-(methoxycarbonylamino)butanoic acid?
The IUPAC name of (2S)-4-(diethylamino)-2-(methoxycarbonylamino)butanoic acid (CID 59166505) is (2S)-4-(diethylamino)-2-(methoxycarbonylamino)butanoic acid.
What is the SMILES notation for (2S)-4-(diethylamino)-2-(methoxycarbonylamino)butanoic acid?
The canonical SMILES for (2S)-4-(diethylamino)-2-(methoxycarbonylamino)butanoic acid is CCN(CC)CC[C@H](NC(=O)OC)C(=O)O.
What is the InChIKey of (2S)-4-(diethylamino)-2-(methoxycarbonylamino)butanoic acid?
The InChIKey is JWYOBWDGRVVXGB-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-4-12(5-2)7-6-8(9(13)14)11-10(15)16-3/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-4-(diethylamino)-2-(methoxycarbonylamino)butanoic acid?
(2S)-4-(diethylamino)-2-(methoxycarbonylamino)butanoic acid has a molecular weight of 232.28 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(diethylamino)-2-(methoxycarbonylamino)butanoic acid is sourced from PubChem (CID 59166505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).