(3R,4S)-3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

C10H20N2O4 — CID 18607794

IUPAC(3R,4S)-3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESC[C@H](NC(=O)OC(C)(C)C)[C@H](N)CC(=O)O
InChIInChI=1S/C10H20N2O4/c1-6(7(11)5-8(13)14)12-9(15)16-10(2,3)4/h6-7H,5,11H2,1-4H3,(H,12,15)(H,13,14)/t6-,7+/m0/s1
InChIKeyWXLFXYHUIHDMMU-NKWVEPMBSA-N
MW232.28 g/mol
LogP0.70
Rot. Bonds4

About (3R,4S)-3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

(3R,4S)-3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (PubChem CID 18607794) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (3R,4S)-3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.

Molecular Properties

Compound Name(3R,4S)-3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
PubChem CID18607794
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(3R,4S)-3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESC[C@H](NC(=O)OC(C)(C)C)[C@H](N)CC(=O)O
InChIInChI=1S/C10H20N2O4/c1-6(7(11)5-8(13)14)12-9(15)16-10(2,3)4/h6-7H,5,11H2,1-4H3,(H,12,15)(H,13,14)/t6-,7+/m0/s1
InChIKeyWXLFXYHUIHDMMU-NKWVEPMBSA-N
XLogP0.70
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The IUPAC name of (3R,4S)-3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (CID 18607794) is (3R,4S)-3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.
What is the SMILES notation for (3R,4S)-3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The canonical SMILES for (3R,4S)-3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is C[C@H](NC(=O)OC(C)(C)C)[C@H](N)CC(=O)O.
What is the InChIKey of (3R,4S)-3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The InChIKey is WXLFXYHUIHDMMU-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-6(7(11)5-8(13)14)12-9(15)16-10(2,3)4/h6-7H,5,11H2,1-4H3,(H,12,15)(H,13,14)/t6-,7+/m0/s1.
What are the key properties of (3R,4S)-3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
(3R,4S)-3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid has a molecular weight of 232.28 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is sourced from PubChem (CID 18607794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).