(3R)-N,N-bis(2-amino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C14H18N4O3 — CID 62921915

IUPAC(3R)-N,N-bis(2-amino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESNC(=O)CN(CC(N)=O)C(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C14H18N4O3/c15-12(19)7-18(8-13(16)20)14(21)11-5-9-3-1-2-4-10(9)6-17-11/h1-4,11,17H,5-8H2,(H2,15,19)(H2,16,20)/t11-/m1/s1
InChIKeyHUUZFOMPVRCRSF-LLVKDONJSA-N
MW290.32 g/mol
LogP-1.50
Rot. Bonds5

About (3R)-N,N-bis(2-amino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3R)-N,N-bis(2-amino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 62921915) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is (3R)-N,N-bis(2-amino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,N-bis(2-amino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID62921915
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name(3R)-N,N-bis(2-amino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESNC(=O)CN(CC(N)=O)C(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C14H18N4O3/c15-12(19)7-18(8-13(16)20)14(21)11-5-9-3-1-2-4-10(9)6-17-11/h1-4,11,17H,5-8H2,(H2,15,19)(H2,16,20)/t11-/m1/s1
InChIKeyHUUZFOMPVRCRSF-LLVKDONJSA-N
XLogP-1.50
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R)-N,N-bis(2-amino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide with MolForge

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Related Compounds

(3R)-N-(2-amino-2-oxoethyl)-N-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61163753
1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4962026
2-[2-methylpropyl-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid
CID 103869274
(3S)-N,N-bis(2-cyanoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896287
2-[cyclopropyl-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid
CID 104896313
azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 175030383
2-[propan-2-yl-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid
CID 61160671
N-(cyclopropylmethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43588804
N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43265856
(3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 56861758
(3S)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896871
N-(2-ethoxyethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 63691628

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-bis(2-amino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3R)-N,N-bis(2-amino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 62921915) is (3R)-N,N-bis(2-amino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N,N-bis(2-amino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N,N-bis(2-amino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is NC(=O)CN(CC(N)=O)C(=O)[C@H]1Cc2ccccc2CN1.
What is the InChIKey of (3R)-N,N-bis(2-amino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is HUUZFOMPVRCRSF-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N4O3/c15-12(19)7-18(8-13(16)20)14(21)11-5-9-3-1-2-4-10(9)6-17-11/h1-4,11,17H,5-8H2,(H2,15,19)(H2,16,20)/t11-/m1/s1.
What are the key properties of (3R)-N,N-bis(2-amino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3R)-N,N-bis(2-amino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 290.32 g/mol, XLogP of -1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-bis(2-amino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 62921915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).