2-(ethoxycarbonylamino)acetic acid;propane

C8H17NO4 — CID 145279324

IUPAC2-(ethoxycarbonylamino)acetic acid;propane
SMILESCCC.CCOC(=O)NCC(=O)O
InChIInChI=1S/C5H9NO4.C3H8/c1-2-10-5(9)6-3-4(7)8;1-3-2/h2-3H2,1H3,(H,6,9)(H,7,8);3H2,1-2H3
InChIKeyRASKYUSFAFCVHI-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.23
Rot. Bonds3

About 2-(ethoxycarbonylamino)acetic acid;propane

2-(ethoxycarbonylamino)acetic acid;propane (PubChem CID 145279324) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(ethoxycarbonylamino)acetic acid;propane.

Molecular Properties

Compound Name2-(ethoxycarbonylamino)acetic acid;propane
PubChem CID145279324
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name2-(ethoxycarbonylamino)acetic acid;propane
SMILESCCC.CCOC(=O)NCC(=O)O
InChIInChI=1S/C5H9NO4.C3H8/c1-2-10-5(9)6-3-4(7)8;1-3-2/h2-3H2,1H3,(H,6,9)(H,7,8);3H2,1-2H3
InChIKeyRASKYUSFAFCVHI-UHFFFAOYSA-N
XLogP1.23
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[2-(dimethylamino)-2-oxoethyl]carbamate
CID 60652344
2-[(3-ethoxy-3-oxopropanoyl)amino]acetic acid
CID 45482769
azane;ethyl N-ethylcarbamate
CID 88547448
ethyl N-propylcarbamate
CID 12199
2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid
CID 95452896
methyl N-[(ethoxycarbonylamino)methyl]carbamate
CID 18709961
ethyl N-[3-(ethoxycarbonylamino)-2,2-bis[(ethoxycarbonylamino)methyl]propyl]carbamate
CID 87374449
4-(ethoxycarbonylamino)-3-methylbutanoic acid
CID 81065891
benzene;ethyl N-benzylcarbamate
CID 67715166
ethyl N-(2-iminobutyl)carbamate
CID 174657995
2-[carboxymethyl-[2-(ethoxycarbonylamino)ethyl]amino]acetic acid
CID 23422765
ethyl 2-(propoxycarbonylamino)acetate
CID 6422290

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxycarbonylamino)acetic acid;propane?
The IUPAC name of 2-(ethoxycarbonylamino)acetic acid;propane (CID 145279324) is 2-(ethoxycarbonylamino)acetic acid;propane.
What is the SMILES notation for 2-(ethoxycarbonylamino)acetic acid;propane?
The canonical SMILES for 2-(ethoxycarbonylamino)acetic acid;propane is CCC.CCOC(=O)NCC(=O)O.
What is the InChIKey of 2-(ethoxycarbonylamino)acetic acid;propane?
The InChIKey is RASKYUSFAFCVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4.C3H8/c1-2-10-5(9)6-3-4(7)8;1-3-2/h2-3H2,1H3,(H,6,9)(H,7,8);3H2,1-2H3.
What are the key properties of 2-(ethoxycarbonylamino)acetic acid;propane?
2-(ethoxycarbonylamino)acetic acid;propane has a molecular weight of 191.23 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxycarbonylamino)acetic acid;propane is sourced from PubChem (CID 145279324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).