2-[cyclopropylmethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid

C13H24N2O3 — CID 43656825

IUPAC2-[cyclopropylmethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCC(C)CNC(=O)C(C)N(CC(=O)O)CC1CC1
InChIInChI=1S/C13H24N2O3/c1-9(2)6-14-13(18)10(3)15(8-12(16)17)7-11-4-5-11/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyHVLGFAUSFGYBMT-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.94
Rot. Bonds8

About 2-[cyclopropylmethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid

2-[cyclopropylmethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid (PubChem CID 43656825) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid
PubChem CID43656825
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[cyclopropylmethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCC(C)CNC(=O)C(C)N(CC(=O)O)CC1CC1
InChIInChI=1S/C13H24N2O3/c1-9(2)6-14-13(18)10(3)15(8-12(16)17)7-11-4-5-11/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyHVLGFAUSFGYBMT-UHFFFAOYSA-N
XLogP0.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid (CID 43656825) is 2-[cyclopropylmethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid is CC(C)CNC(=O)C(C)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid?
The InChIKey is HVLGFAUSFGYBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)6-14-13(18)10(3)15(8-12(16)17)7-11-4-5-11/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[cyclopropylmethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid?
2-[cyclopropylmethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid is sourced from PubChem (CID 43656825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).